Information card for entry 7200813

Structure parameters

• Formula: C42 H40 Cu2 N4 O6
• Calculated formula: C42 H40 Cu2 N4 O6
• Title of publication: Spontaneous resolution of chiral metal mandelates by stereochemical control
• Authors of publication: Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 967
• a: 9.0498 ± 0.0017 Å
• b: 13.27 ± 0.002 Å
• c: 16.353 ± 0.003 Å
• α: 90°
• β: 103.053 ± 0.004°
• γ: 90°
• Cell volume: 1913.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No