Information card for entry 2205982

Structure parameters

• Chemical name: (6R,7aS)-1,3,5,6,7,7a-Hexahydro-3-(2-hydroxyphenyl)-1,1- diphenylpyrrolo[1,2-c][1,3]oxazol-6-ol
• Formula: C24 H23 N O3
• Calculated formula: C24 H23 N O3
• SMILES: O1[C@@H](N2[C@H](C1(c1ccccc1)c1ccccc1)C[C@@H](O)C2)c1ccccc1O
• Title of publication: (6<i>R</i>,7a<i>S</i>)-1,3,5,6,7,7a-Hexahydro-3-(2-hydroxyphenyl)-1,1-diphenylpyrrolo[1,2-<i>c</i>][1,3]oxazol-6-ol
• Authors of publication: Zongxuan Shen; Ding Yi; Yawen Zhang; De-Chun Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1715 - o1717
• a: 6.0329 ± 0.0005 Å
• b: 9.4215 ± 0.001 Å
• c: 33.796 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1920.9 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes