Information card for entry 7229178

Structure parameters

• Chemical name: 9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) (2-methyl-2-propanol) (2-propanol) Clathrate
• Formula: C98 H90 O10
• Calculated formula: C98 H90 O10
• Title of publication: Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds
• Authors of publication: Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 10.328 ± 0.002 Å
• b: 11.176 ± 0.002 Å
• c: 18.112 ± 0.004 Å
• α: 75.76 ± 0.03°
• β: 79.16 ± 0.03°
• γ: 88.31 ± 0.03°
• Cell volume: 1989.9 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No