Information card for entry 2207767

Structure parameters

• Chemical name: 2,6-Dibenzhydryl-8b,8c-diphenyl-2,3,5,6,8b,8c-hexahydro-2,3a,4a,6,7a,8a-hexaaza- 1H,4H-cyclopenta[def]fluorene-4,8-dione
• Formula: C46 H40 N6 O2
• Calculated formula: C46 H40 N6 O2
• SMILES: c1ccccc1C(c1ccccc1)N1CN2C(=O)N3C4(C2(c2ccccc2)N(C1)C(=O)N4CN(C3)C(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 2,6-Dibenzhydryl-8b,8c-diphenyl-2,3,5,6,8b,8c-hexahydro-2,3a,4a,6,7a,8a-hexaaza-1<i>H</i>,4<i>H</i>-cyclopenta[<i>def</i>]fluorene-4,8-dione
• Authors of publication: Li, Yi-Tao; Wang, Yu-Zhou; Wu, An-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o379 - o380
• a: 10.5691 ± 0.0013 Å
• b: 13.7434 ± 0.0017 Å
• c: 13.9871 ± 0.0017 Å
• α: 78.876 ± 0.002°
• β: 72.706 ± 0.002°
• γ: 88.624 ± 0.002°
• Cell volume: 1902.2 ± 0.4 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: 0.1066
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes