Information card for entry 4108416

Structure parameters

• Formula: C20 H18 Cl2 O2
• Calculated formula: C20 H18 Cl2 O2
• SMILES: Clc1ccc(cc1)C(=O)[C@@H]1[C@@H](C)[C@H](C)[C@H]1C(=O)c1ccc(Cl)cc1.Clc1ccc(cc1)C(=O)[C@H]1[C@H](C)[C@@H](C)[C@@H]1C(=O)c1ccc(Cl)cc1
• Title of publication: Efficient Visible Light Photocatalysis of [2+2] Enone Cycloadditions
• Authors of publication: Michael A. Ischay; Mary E. Anzovino; Juana Du; Tehshik P. Yoon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12886 - 12887
• a: 8.4 ± 0.004 Å
• b: 9.951 ± 0.005 Å
• c: 11.472 ± 0.007 Å
• α: 84.65 ± 0.03°
• β: 71.48 ± 0.03°
• γ: 70.1 ± 0.03°
• Cell volume: 854.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No