Information card for entry 7109904

Structure parameters

• Formula: C40 H23 Cl2 O12 Zn2
• Calculated formula: C40 H23 Cl2 O12 Zn2
• Title of publication: Enantioselective ring-opening of meso-epoxides by aromatic amines catalyzed by a homochiral metal-organic framework
• Authors of publication: Sridhar Regati; Yabing He; Muralidhara Thimmaiah; Peng Li; Shengchang Xiang; Banglin Chen; John Cong-Gui Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9836
• a: 10.1889 ± 0.0013 Å
• b: 16.651 ± 0.002 Å
• c: 19.73 ± 0.003 Å
• α: 90°
• β: 101.825 ± 0.002°
• γ: 90°
• Cell volume: 3276.3 ± 0.8 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No