Information card for entry 7109241

Structure parameters

• Formula: C35 H38 Br N2 O8 P
• Calculated formula: C35 H38 Br N2 O8 P
• SMILES: Brc1ccc(cc1)[C@@](NP(=O)(Oc1c(cccc1C)C)Oc1c(cccc1C)C)([C@@H](Nc1ccc(OC)cc1)C(=O)OC)C(=O)OC.Brc1ccc(cc1)[C@](NP(=O)(Oc1c(cccc1C)C)Oc1c(cccc1C)C)([C@H](Nc1ccc(OC)cc1)C(=O)OC)C(=O)OC
• Title of publication: Enantioselective trapping of phosphoramidate ammonium ylides with imino esters for synthesis of 2,3-diaminosuccinic acid derivatives
• Authors of publication: Jun Jiang; Xiaochu Ma; Shunying Liu; Yu Qian; Fengping Lv; Lin Qiu; Xiang Wu; Wenhao Hu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4238
• a: 16.9476 ± 0.0006 Å
• b: 14.5627 ± 0.0005 Å
• c: 15.6857 ± 0.0005 Å
• α: 90°
• β: 116.62 ± 0.001°
• γ: 90°
• Cell volume: 3460.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1357
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No