1,3,4,6-Tetra-O-acetyl-2-(trifluoromethylsulfonyl)-β-d-mannopyranose
✍ Scribed by Zhu, Hong-Yuan ;Jiang, Shen-De
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 633 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Two independent molecules comprise the asymmetric unit of the title compound, C 15 H 19 F 3 O 12 S, which was synthesized by reacting 1,3,4,6-tetra-O-acetyl--d-mannopyranose with trifluoromethanesulfonic anhydride. In one molecule three F atoms and one O of the -SO 2 CF 3 side chains are disordered equally over two positions; in the other molecule the three F atoms are equally disordered over two positions.
Related literature
For background literature, see: Fowler & Wolf (1986, 1997). For the synthesis, see Pavliak & Kova ´c ˇ(1991).
Experimental
Crystal data
C 15 H 19 F 3 O 12 S M r = 480.36 Triclinic, P1 a = 7.885 (2) A b = 8.542 (2) A c = 15.629 (4) A = 99.103 (4) = 90.958 (4) = 90.271 (4) V = 1039.2 (5) A ˚3 Z = 2 Mo K radiation = 0.24 mm À1 T = 293 (2) K 0.26 Â 0.24 Â 0.20 mm Data collection Bruker SMART CCD diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.940, T max = 0.953 5327 measured reflections 4322 independent reflections 3520 reflections with I > 2(I) R int = 0.022 Refinement R[F 2 > 2(F 2 )] = 0.041 wR(F 2
📜 SIMILAR VOLUMES
## Crystals of the tetrasaccharide, (2,3,4,6-tetra-0acetyl-fi-D-ghxopyranosyl~-(1 + 3)-[2,3,4,6-tetra-O-acetyI+LD-gIucopyranosyI-(1 --t 6)]-(2,4-di-0-acetyl-g\_D-glucopyranosyl)-1 --) 3)-1,2,4,6-tetrad-acetyl$?-n-ghicopyranose, belong to tge monoclinic system, space group P2,, with a = 12.709(4),
Single-crystal X-ray study T = 113 K Mean (C-C) = 0.006 A Disorder in main residue R factor = 0.052 wR factor = 0.111 Data-to-parameter ratio = 12.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.