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2,4,6-Tri­nitro-2,4,6,8-tetra­aza­bi­cyclo­[3.3.0]octan-7-one

✍ Scribed by Butcher, Ray J. ;Evans, Robin ;Gilardi, R.

Publisher
International Union of Crystallography
Year
2004
Tongue
English
Weight
227 KB
Volume
60
Category
Article
ISSN
1600-5368

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✦ Synopsis

Single-crystal X-ray study T = 94 K Mean '(C±C) = 0.002 A Ê R factor = 0.035 wR factor = 0.087 Data-to-parameter ratio = 10.9

For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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The structure of the title compound, C 5 H 7 N 7 O 7 , contains fused ®ve-and six-membered rings in a ¯attened envelope and a twist-boat conformation, respectively, with a cis junction between the two heterocyclic rings.

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Single-crystal X-ray study T = 294 K Mean '(C±C) = 0.003 A Ê R factor = 0.036 wR factor = 0.091 Data-to-parameter ratio = 7.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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✍ Gilardi, Richard D. ;Butcher, Ray J. 📂 Article 📅 2001 🏛 International Union of Crystallography 🌐 English ⚖ 273 KB

Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.033 wR factor = 0.092 Data-to-parameter ratio = 10.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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✍ Gilardi, Richard D. ;Butcher, Ray J. 📂 Article 📅 2001 🏛 International Union of Crystallography 🌐 English ⚖ 383 KB

The title compound, C 5 H 6 N 4 O 7 , is a cyclic carbonate ester of 1,4-piperazine-2,3-diol. It contains only C, H, N, and O atoms, and has a high density of 1.828 Mg m À3 .