Information card for entry 7101416

Structure parameters

• Formula: C30 H24 Cl2 O2
• Calculated formula: C30 H24 Cl2 O2
• SMILES: Clc1ccc(cc1)C(=O)[C@H](c1ccc(cc1)C)[C@H](C(=O)c1ccc(Cl)cc1)c1ccc(cc1)C.Clc1ccc(cc1)C(=O)[C@@H](c1ccc(cc1)C)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(cc1)C
• Title of publication: Copper Catalyzed Oxidation of Organozinc Halides
• Authors of publication: David Spring; David T. Blackwell; David J. Fox; Xianbin Su.; Kiyotaka Tanaka
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 37
• a: 9.9644 ± 0.0003 Å
• b: 10.6247 ± 0.0004 Å
• c: 12.3651 ± 0.0005 Å
• α: 72.322 ± 0.002°
• β: 77.493 ± 0.002°
• γ: 86.707 ± 0.002°
• Cell volume: 1217.61 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0751
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No