Information card for entry 7228521

Structure parameters

• Chemical name: 9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (1-butanol) Clathrate
• Formula: C36 H38 O4
• Calculated formula: C36 H38 O4
• Title of publication: Selectivity of Aliphatic Alcohols by Host-Guest Chemistry
• Authors of publication: Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 8.8074 ± 0.0018 Å
• b: 13.145 ± 0.003 Å
• c: 14.259 ± 0.003 Å
• α: 75.84 ± 0.03°
• β: 73.56 ± 0.03°
• γ: 78.7 ± 0.03°
• Cell volume: 1520.9 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No