Information card for entry 7150795

Structure parameters

• Formula: C24 H30 N4 O4
• Calculated formula: C24 H30 N4 O4
• SMILES: O(c1c(c(NC(=O)[C@H]2NCCC2)ccc1)c1c(OC)cccc1NC(=O)[C@H]1NCCC1)C
• Title of publication: Chiral biphenylamide derivative: an efficient organocatalyst for the enantioselective synthesis of α-hydroxy phosphonates
• Authors of publication: Jiang, Jun; Chen, Xiaohong; Wang, Jun; Hui, Yonghai; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 21
• Pages of publication: 4355 - 4357
• a: 8.771 ± 0.003 Å
• b: 9.743 ± 0.003 Å
• c: 26.204 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2239.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1969
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No