Information card for entry 2204867

Structure parameters

• Common name: 1-Chloro-2,2-dimethyl-1,3-diphenylpent-4-ene
• Chemical name: 1-Chloro-2,2-dimethyl-1,3-diphenylpent-4-ene
• Formula: C19 H21 Cl
• Calculated formula: C19 H21 Cl
• SMILES: C=C[C@H](C([C@H](c1ccccc1)Cl)(C)C)c1ccccc1.C=C[C@@H](C([C@@H](c1ccccc1)Cl)(C)C)c1ccccc1
• Title of publication: 1-Chloro-2,2-dimethyl-1,3-diphenylpent-4-ene
• Authors of publication: Hartung, Jens; Špehar, Kristina; Murso, Alexander; Svoboda, Ingrid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o147 - o148
• a: 13.8829 ± 0.0009 Å
• b: 7.2027 ± 0.0005 Å
• c: 15.4632 ± 0.001 Å
• α: 90°
• β: 92.142 ± 0.002°
• γ: 90°
• Cell volume: 1545.15 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes