Information card for entry 1547022

Structure parameters

• Formula: C24 H29 Cl2 N O4
• Calculated formula: C24 H29 Cl2 N O4
• SMILES: Clc1c(COC(=O)[C@H]([C@H]([C@H]2N=C3[C@H](OC2=O)[C@H]2CC[C@@]3(C2(C)C)C)C)C)c(Cl)ccc1
• Title of publication: Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.
• Authors of publication: Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4660 - 4663
• a: 9.2948 ± 0.0005 Å
• b: 11.2533 ± 0.0007 Å
• c: 11.0889 ± 0.0007 Å
• α: 90°
• β: 95.716 ± 0.006°
• γ: 90°
• Cell volume: 1154.1 ± 0.12 ų
• Cell temperature: 290.92 ± 0.1 K
• Ambient diffraction temperature: 290.92 ± 0.1 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: 0.0595
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No