Information card for entry 2007523

Structure parameters

• Chemical name: sp-9-[o-(β-Chloro-α,α-dimethylethyl)phenyl]fluorene
• Formula: C23 H21 Cl
• Calculated formula: C23 H21 Cl
• SMILES: ClCC(c1c(C2c3c(c4ccccc24)cccc3)cccc1)(C)C
• Title of publication: <i>sp</i>-9-[<i>o</i>-(β-Chloro-α,α-dimethylethyl)phenyl]fluorene: an Unanticipated Exclusive Product from the Reaction of <i>sp</i>-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol with Thionyl Chloride
• Authors of publication: Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1173 - 1175
• a: 9.0116 ± 0.0017 Å
• b: 12.073 ± 0.003 Å
• c: 8.4305 ± 0.0018 Å
• α: 104.542 ± 0.019°
• β: 96.133 ± 0.017°
• γ: 86.504 ± 0.018°
• Cell volume: 882.2 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.069
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No