Information card for entry 2006382

Structure parameters

• Chemical name: sp-9-(o-isopropylphenyl)fluorene
• Formula: C22 H20
• Calculated formula: C22 H20
• SMILES: c1cccc2c3ccccc3C(c12)c1c(cccc1)C(C)C
• Title of publication: Exclusive Formation of Crystalline <i>sp</i>-9-(<i>o</i>-Isopropylphenyl)fluorene from its <i>ap</i> Rotamer in Solution
• Authors of publication: Meyers, Cal Y.; Hou, Yuqing; Scott, Delano; Robinson, Paul D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1149 - 1151
• a: 11.7734 ± 0.0017 Å
• b: 15.773 ± 0.002 Å
• c: 8.796 ± 0.0016 Å
• α: 90°
• β: 95.182 ± 0.014°
• γ: 90°
• Cell volume: 1626.8 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 2
• 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: 0.183
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.1619
• Weighted residual factors for significantly intense reflections: 0.109
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for significantly intense reflections: 1.173
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No