Information card for entry 2216649

Structure parameters

• Chemical name: 2,6-Diethyl-8b,8c-diphenylperhydro-2,3a,4a,6,7a,8a- hexaazacyclopenta[def]fluorene-4,8-dione
• Formula: C24 H28 N6 O2
• Calculated formula: C24 H28 N6 O2
• SMILES: CCN1CN2C(=O)N3C4(C2(c2ccccc2)N(C1)C(=O)N4CN(C3)CC)c1ccccc1
• Title of publication: 2,6-Diethyl-8b,8c-diphenylperhydro-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-4,8-dione
• Authors of publication: Juan Li; Yan Hu; Zi-hua Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4777 - o4777
• a: 8.6963 ± 0.0009 Å
• b: 10.3704 ± 0.001 Å
• c: 13.0294 ± 0.0013 Å
• α: 76.885 ± 0.002°
• β: 73.233 ± 0.001°
• γ: 84.576 ± 0.001°
• Cell volume: 1095.21 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0902
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes