Information card for entry 2216115

Structure parameters

• Common name: cis-1,3,12,5b,5c,6-hexahydro-<i>2H,5H</i>-1a,2a,4a,5a- tetraimidazo[4,5-d]imidazole-2,5<i>(1H,3H)</i>-dione
• Chemical name: 15a,15b-Dihydro-5H,7H,9H,14H,17H-15,16-methanodibenzo[e]diazepino\ [2,3-c;3',2'-e]imidazole-7,18-dione
• Formula: C20 H18 N4 O2
• Calculated formula: C20 H18 N4 O2
• SMILES: c12ccccc1CN1C(=O)N3C4C1N(C2)C(=O)N4Cc1c(C3)cccc1
• Title of publication: 15a,15b-Dihydro-5<i>H</i>,7<i>H</i>,9<i>H</i>,14<i>H</i>,17<i>H</i>-15,16-methanodibenzo[<i>e</i>]diazepino[2,3-<i>c</i>;3',2'-<i>e</i>]imidazole-7,18-dione
• Authors of publication: Yan Hu; Bao-han Zhou; Li-ping Cao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4480 - o4480
• a: 10.266 ± 0.0016 Å
• b: 11.2985 ± 0.0018 Å
• c: 14.522 ± 0.002 Å
• α: 90°
• β: 97.923 ± 0.003°
• γ: 90°
• Cell volume: 1668.3 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes