Information card for entry 2205428

Structure parameters

• Formula: C30 H32 N2 O4
• Calculated formula: C30 H32 N2 O4
• SMILES: O=C(N1C(=O)c2ccccc2OC21CCCCC2)[C@H](C)[C@H](Nc1ccccc1OC)c1ccccc1.O=C(N1C(=O)c2ccccc2OC21CCCCC2)[C@@H](C)[C@@H](Nc1ccccc1OC)c1ccccc1
• Title of publication: 3-[(2<i>R</i>*,3<i>S</i>*)-3-(2-Methoxyanilino)-2-methyl-3-phenylpropionyl]spiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one
• Authors of publication: Shan-Zhong Jian; Jian-Ming Gu; Yan-Guang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o990 - o991
• a: 24.1025 ± 0.0004 Å
• b: 11.0675 ± 0.0005 Å
• c: 19.0716 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5087.4 ± 0.3 ų
• Cell temperature: 295 ± 1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No