Information card for entry 2010811

Structure parameters

• Formula: C27 H29 N O9
• Calculated formula: C27 H25 N O9
• SMILES: O(C(=O)[C@H](CN1C(=O)c2c(C1=O)cccc2)c1cc(OC)c(OC)cc1)[C@@H]1C(COC1=O)(C)C.CCOC(=O)C
• Title of publication: Nouveaux dérivés de <i>N</i>-phtalimido-2-arylepropanoate de pantolactonyle
• Authors of publication: Marc Rolland; Monique Calmès; Françoise Escale; Jean Martinez
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 445 - 447
• a: 11.56 ± 0.001 Å
• b: 8.4 ± 0.001 Å
• c: 13.954 ± 0.001 Å
• α: 90 ± 0.01°
• β: 103.41 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 1318 ± 0.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.653
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes