Information card for entry 4504929

Structure parameters

• Formula: C35 H26 N2 O2
• Calculated formula: C35 H26 N2 O2
• SMILES: Oc1ccc(cc1)C1(c2ccc(O)cc2)c2ccccc2c2ccccc12.c1cc(ccn1)c1ccncc1
• 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: 12.511 ± 0.003 Å
• b: 27.82 ± 0.006 Å
• c: 23.127 ± 0.005 Å
• α: 90°
• β: 92.6 ± 0.03°
• γ: 90°
• Cell volume: 8041 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1305
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No