Information card for entry 2211619

Structure parameters

• Chemical name: Diethyl cis-4,5,10,11-tetrahydro-4,11-dioxo-1H,3H-2-oxa-3a,4a,10a,11a- tetraazabenz[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxylate
• Formula: C20 H22 N4 O7
• Calculated formula: C20 H22 N4 O7
• Title of publication: Diethyl <i>cis</i>-4,5,10,11-tetrahydro-4,11-dioxo-1<i>H</i>,3<i>H</i>-2-oxa-3a,4a,10a,11a-tetraazabenz[<i>f</i>]indeno[2,1,7-<i>ija</i>]azulene-11b,11c-dicarboxylate
• Authors of publication: Li-Ping Cao; Meng Gao; Bao-Han Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5419 - o5420
• a: 8.1503 ± 0.0007 Å
• b: 11.1548 ± 0.0009 Å
• c: 11.9935 ± 0.001 Å
• α: 95.016 ± 0.001°
• β: 104.297 ± 0.001°
• γ: 111.285 ± 0.001°
• Cell volume: 965.42 ± 0.14 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes