Information card for entry 7228518

Structure parameters

• Chemical name: 9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol)
• Formula: C28 H18 O2
• Calculated formula: C28 H18 O2
• SMILES: OC1(C#CC2(O)c3c(c4c2cccc4)cccc3)c2c(c3c1cccc3)cccc2
• 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: 18.455 ± 0.004 Å
• b: 14.363 ± 0.003 Å
• c: 15.938 ± 0.003 Å
• α: 90°
• β: 113.45 ± 0.03°
• γ: 90°
• Cell volume: 3875.7 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1033
• 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: No
• Has Fobs: No