Information card for entry 2006920

Structure parameters

• Chemical name: 9-(o-tert-butylphenyl)-9-fluorenol
• Formula: C23 H22 O
• Calculated formula: C23 H22 O
• SMILES: OC1(c2c(c3ccccc13)cccc2)c1c(cccc1)C(C)(C)C
• Title of publication: Exclusivity of the <i>sp</i> Rotamers of 9-(<i>o</i>-<i>tert</i>-Butylphenyl)fluorene and 9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol in Solution and the Crystalline State
• Authors of publication: Robinson, Paul D.; Hou, Yuqing; Lutfi, Hisham G.; Meyers, Cal Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 73 - 77
• a: 15.865 ± 0.004 Å
• b: 11.886 ± 0.006 Å
• c: 20.252 ± 0.004 Å
• α: 90°
• β: 112.438 ± 0.014°
• γ: 90°
• Cell volume: 3530 ± 2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1362
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No