Information card for entry 7216274

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(c2c(c3c1cccc3)cccc2)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: 11.3947 ± 0.0002 Å
• b: 15.7982 ± 0.0004 Å
• c: 18.4861 ± 0.0005 Å
• α: 91.028 ± 0.001°
• β: 99.107 ± 0.001°
• γ: 93.377 ± 0.002°
• Cell volume: 3278.88 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.157
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.2034
• Weighted residual factors for all reflections included in the refinement: 0.2601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No