Information card for entry 7216275

Structure parameters

• Common name: 9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate
• Chemical name: 9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate
• Formula: C26 H29 N O
• Calculated formula: C26 H29 N O
• SMILES: OC1(c2ccccc2c2c1cccc2)c1ccccc1.NC1CCC(CC1)C
• Title of publication: Temperature-dependent phase transition in a phenylfluorenol inclusion compound
• Authors of publication: Caira, Mino R.; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 62
• Pages of publication: 351
• a: 8.7451 ± 0.0017 Å
• b: 11.472 ± 0.002 Å
• c: 12.336 ± 0.003 Å
• α: 100.72 ± 0.03°
• β: 96.13 ± 0.03°
• γ: 111.23 ± 0.03°
• Cell volume: 1112.8 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No