Information card for entry 4508192

Structure parameters

• Formula: C42 H34 O4
• Calculated formula: C42 H34 O4
• SMILES: OC1(c2ccccc2c2ccccc12)c1cccc(c1)c1cccc(c1)C1(O)c2ccccc2c2ccccc12.O=C(OCC)C
• 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: 47.2311 ± 0.0013 Å
• b: 9.0398 ± 0.0002 Å
• c: 14.5545 ± 0.0004 Å
• α: 90°
• β: 93.418 ± 0.001°
• γ: 90°
• Cell volume: 6203.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No