Information card for entry 2206330

Structure parameters

• Chemical name: 2,6-Dibenzyl-8b,8c-diphenyl-2,3a,4a,6,7a,8a- hexaazaperhydrocyclopenta[def]fluorene-4,8-dione
• Formula: C34 H32 N6 O2
• Calculated formula: C34 H32 N6 O2
• SMILES: c1ccccc1CN1CN2C(=O)N3C4(C2(c2ccccc2)N(C1)C(=O)N4CN(C3)Cc1ccccc1)c1ccccc1
• Title of publication: 2,6-Dibenzyl-8b,8c-diphenyl-2,3a,4a,6,7a,8a-hexaazaperhydrocyclopenta[<i>def</i>]fluorene-4,8-dione
• Authors of publication: Li, Yi-Tao; Long, Tao; Wu, An-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2374 - o2375
• a: 11.7235 ± 0.0009 Å
• b: 18.378 ± 0.0013 Å
• c: 14.1604 ± 0.001 Å
• α: 90°
• β: 109.903 ± 0.001°
• γ: 90°
• Cell volume: 2868.7 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes