Information card for entry 1519195

Structure parameters

• Formula: C19 H17 Cl3
• Calculated formula: C19 H17 Cl3
• SMILES: ClC1([C@@H](c2ccccc2)[C@@H]1c1ccccc1)/C(=C(\CCl)C)Cl.ClC1([C@H](c2ccccc2)[C@H]1c1ccccc1)/C(=C(\CCl)C)Cl
• Title of publication: C19H17Cl3
• Authors of publication: Baird, Mark S.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1998
• Pages of publication: 746
• a: 12.242 ± 0.002 Å
• b: 9.89 ± 0.001 Å
• c: 14.073 ± 0.002 Å
• α: 90°
• β: 97.89 ± 0.02°
• γ: 90°
• Cell volume: 1687.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1011
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.633
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No