Information card for entry 7228520

Structure parameters

• Chemical name: 9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (3-pentanol) Clathrate
• Formula: C114 H125 O12
• Calculated formula: C114 H125 O12
• 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: 9.6915 ± 0.0019 Å
• b: 15.38 ± 0.003 Å
• c: 16.438 ± 0.003 Å
• α: 91.21 ± 0.03°
• β: 98.29 ± 0.03°
• γ: 91.87 ± 0.03°
• Cell volume: 2422.5 ± 0.8 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: 0.0694
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No