Information card for entry 2006921

Structure parameters

• Chemical name: sp-9-(o-tert-butylphenyl)fluorene
• Formula: C23 H22
• Calculated formula: C23 H22
• SMILES: c1cccc2c3ccccc3C(c12)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: 10.7211 ± 0.0011 Å
• b: 15.186 ± 0.002 Å
• c: 10.4816 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1706.5 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 2
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No