Information card for entry 2010812

Structure parameters

• Formula: C23 H20 F N O6
• Calculated formula: C23 H20 F N O6
• SMILES: Fc1ccc([C@H](C(=O)O[C@H]2C(=O)OCC2(C)C)CN2C(=O)c3ccccc3C2=O)cc1
• 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: 9.5666 ± 0.0003 Å
• b: 11.1026 ± 0.0002 Å
• c: 20.32 ± 0.0006 Å
• α: 90 ± 0.01°
• β: 90 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 2158.27 ± 0.1 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes