Information card for entry 1547020

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: 7.3804 ± 0.0017 Å
• b: 9.68 ± 0.002 Å
• c: 16.898 ± 0.004 Å
• α: 87.64 ± 0.02°
• β: 86.23 ± 0.02°
• γ: 89.091 ± 0.019°
• Cell volume: 1203.5 ± 0.5 ų
• Cell temperature: 290.92 ± 0.1 K
• Ambient diffraction temperature: 290.92 ± 0.1 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: 0.1574
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No