Information card for entry 2214892

Structure parameters

• Chemical name: 8b,8c-Diphenyl-2,6-dioxa-3a,4a,7a,8a-tetraazaperhydrocyclopenta[def]fluorene- 4,8-dione
• Formula: C20 H18 N4 O4
• Calculated formula: C20 H18 N4 O4
• SMILES: O1CN2C(=O)N3C4(N(C(=O)N(C24c2ccccc2)C1)COC3)c1ccccc1
• Title of publication: 8b,8c-Diphenyl-2,6-dioxa-3a,4a,7a,8a-tetraazaperhydrocyclopenta[<i>def</i>]fluorene-4,8-dione
• Authors of publication: Meng Gao; Jing-Jing Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3480 - o3480
• a: 14.558 ± 0.003 Å
• b: 14.87 ± 0.003 Å
• c: 16.711 ± 0.003 Å
• α: 90°
• β: 91.695 ± 0.003°
• γ: 90°
• Cell volume: 3616 ± 1.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes