Information card for entry 2200621

Structure parameters

• Common name: spiropyrrolidine
• Chemical name: Spiro[2-carbomethoxy-5-(4-methoxyphenyl)-3-phenylpyrrolidine-4,3'-chroman- 4'-one]
• Formula: C27 H25 N O5
• Calculated formula: C27 H25 N O5
• SMILES: N1[C@H]([C@@]2(C(=O)c3ccccc3OC2)[C@@H]([C@H]1C(=O)OC)c1ccccc1)c1ccc(OC)cc1.N1[C@@H]([C@]2(C(=O)c3ccccc3OC2)[C@H]([C@@H]1C(=O)OC)c1ccccc1)c1ccc(OC)cc1
• Title of publication: Spiro[2-carbomethoxy-5-(4-methoxyphenyl)-3-phenylpyrrolidine-4,3'-chroman-4'-one]
• Authors of publication: M. Nilofar Nissa; V. Rajakannan; Moon-Jib Kim; D. Velmurugan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1230 - o1232
• a: 6.709 ± 0.005 Å
• b: 9.958 ± 0.005 Å
• c: 17.743 ± 0.005 Å
• α: 95.757 ± 0.005°
• β: 94.587 ± 0.005°
• γ: 105.6 ± 0.005°
• Cell volume: 1128.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes