Information card for entry 1502091

Structure parameters

• Formula: C30 H33 N O4
• Calculated formula: C30 H33 N O4
• SMILES: [C@@H]1([C@@H](c2ccccc2)[C@@H]2CCCC[C@]2([C@@H]([C@H]1c1ccccc1)C=O)O)N(=O)=O.Cc1ccccc1
• Title of publication: Organocatalytic synthesis of multiple substituted bicyclo[4.4.0]decalin system.
• Authors of publication: Anwar, Shaik; Chang, Hui-Ju; Chen, Kwunmin
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 2200 - 2203
• a: 8.3963 ± 0.0004 Å
• b: 11.4021 ± 0.0005 Å
• c: 26.4261 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2529.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No