Information card for entry 4508188

Structure parameters

• Formula: C50 H50 O8
• Calculated formula: C50 H50 O8
• SMILES: c12ccccc1c1ccccc1C2(O)c1cccc(c1)c1cccc(C2(c3ccccc3c3ccccc23)O)c1.C1COCCO1.C1OCCOC1.C1COCCO1
• 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: 8.3229 ± 0.0002 Å
• b: 8.457 ± 0.0002 Å
• c: 15.3718 ± 0.0003 Å
• α: 95.525 ± 0.001°
• β: 91.841 ± 0.001°
• γ: 111.525 ± 0.001°
• Cell volume: 999.17 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No