Information card for entry 4508187

Structure parameters

• Formula: C38 H26 O2
• Calculated formula: C38 H26 O2
• SMILES: OC1(c2ccccc2c2ccccc12)c1cccc(c1)c1cccc(c1)C1(O)c2ccccc2c2ccccc12
• Title of publication: Host Polymorphs and Crystalline Host–Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl
• Authors of publication: Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3985
• a: 18.5784 ± 0.0005 Å
• b: 11.3468 ± 0.0003 Å
• c: 12.367 ± 0.0003 Å
• α: 90°
• β: 96.731 ± 0.001°
• γ: 90°
• Cell volume: 2589.06 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0723
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No