Information card for entry 7209079

Structure parameters

• Formula: C48 H42 O4
• Calculated formula: C48 H42 O4
• Title of publication: Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules
• Authors of publication: Klien, Henrik; Seichter, Wilhelm; Weber, Edwin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 586
• a: 11.4578 ± 0.0002 Å
• b: 12.9959 ± 0.0002 Å
• c: 14.1065 ± 0.0003 Å
• α: 64.774 ± 0.001°
• β: 80.205 ± 0.001°
• γ: 73.551 ± 0.001°
• Cell volume: 1819.47 ± 0.06 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: 0.0487
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No