Information card for entry 7107508

Structure parameters

• Formula: C20 H23 Cl N2 O3.23
• Calculated formula: C20 H23 Cl N2 O3.245
• Title of publication: Practical biocatalytic desymmetrization of meso-N-heterocyclic dicarboxamides and their application in the construction of aza-sugar containing nucleoside analogs
• Authors of publication: Peng Chen; Ming Gao; De-Xian Wang; Liang Zhao; Mei-Xiang Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3482
• a: 5.614 ± 0.002 Å
• b: 8.72 ± 0.003 Å
• c: 10.053 ± 0.004 Å
• α: 78.575 ± 0.011°
• β: 82.289 ± 0.012°
• γ: 87.57 ± 0.015°
• Cell volume: 478 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No