Information card for entry 7116892

Structure parameters

• Formula: C28 H28 Cl N O9
• Calculated formula: C28 H28 Cl N O9
• SMILES: Clc1ccc(CN2C(=O)C[C@H]3[C@H](c4ccc(OC)cc4)C(C(=O)OC)(C(=O)OC)C[C@@]3(C(=O)OC)C2=O)cc1.Clc1ccc(CN2C(=O)C[C@@H]3[C@@H](c4ccc(OC)cc4)C(C(=O)OC)(C(=O)OC)C[C@]3(C(=O)OC)C2=O)cc1
• Title of publication: Passerini/Tsuji-Trost strategies towards achieving lactams and cyclopentane derivatives
• Authors of publication: Marie Cordier; Aurelie Dos Santos; Laurent El Kaim; Noisette Narboni
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6411
• a: 11.5552 ± 0.0003 Å
• b: 11.6532 ± 0.0004 Å
• c: 11.9655 ± 0.0004 Å
• α: 77.69 ± 0.001°
• β: 68.849 ± 0.002°
• γ: 63.172 ± 0.002°
• Cell volume: 1338.48 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No