Information card for entry 2207442

Structure parameters

• Chemical name: trans-4-(4-Chlorophenyl)-2-[(2-chlorophenyl)(3-pyridylmethylamino)methyl]-5,5- dimethyl-1,3,2-dioxaphosphinane 2-oxide
• Formula: C24 H25 Cl2 N2 O3 P
• Calculated formula: C24 H25 Cl2 N2 O3 P
• SMILES: c1ccncc1CN[C@@H](c1c(cccc1)Cl)[P@]1(=O)O[C@H](C(CO1)(C)C)c1ccc(cc1)Cl.c1ccncc1CN[C@H](c1c(cccc1)Cl)[P@@]1(=O)O[C@@H](C(CO1)(C)C)c1ccc(cc1)Cl
• Title of publication: <i>trans</i>-4-(4-Chlorophenyl)-2-[(2-chlorophenyl)(3-pyridylmethylamino)methyl]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide
• Authors of publication: Sun, Feng-Mei; Tian, Man-Man; Luo, Zai-Gang; Shi, De-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4162 - o4164
• a: 7.0888 ± 0.0006 Å
• b: 14.4398 ± 0.0013 Å
• c: 24.085 ± 0.002 Å
• α: 90°
• β: 96.112 ± 0.002°
• γ: 90°
• Cell volume: 2451.3 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0932
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes