Information card for entry 4504931

Structure parameters

• Formula: C62 H46 N2 O4
• Calculated formula: C62 H46 N2 O4
• SMILES: c1(ccc(cc1)C1(c2ccc(O)cc2)c2ccccc2c2ccccc12)O.n1ccc(cc1)/C=C/c1ccncc1.c1(ccc(cc1)C1(c2ccc(O)cc2)c2ccccc2c2ccccc12)O
• Title of publication: Crystal Engineering Based on Polymeric Hydrogen-Bonded Supramolecules by Self-Assembling of 4,4‘-(9-Fluorenylidene)diphenol and 4,4‘-Cyclohexylidenebisphenol with Bipyridines
• Authors of publication: Zeng, Qingdao; Wu, Dongxia; Liu, Caiming; Ma, Hongwei; Lu, Jun; Xu, Shandong; Li, Yan; Wang, Chen; Bai, Chunli
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1041
• a: 19.971 ± 0.004 Å
• b: 10.782 ± 0.002 Å
• c: 20.781 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4474.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No