Information card for entry 2225458

Structure parameters

• Chemical name: Methyl 3-(4-methoxyphenyl)-1-methyl-1,2,3,3a,4,11b- hexahydrobenzo[<i>f</i>]chromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate
• Formula: C25 H25 N O4
• Calculated formula: C25 H25 N O4
• SMILES: c12ccccc1ccc1c2[C@@H]2[C@@]([C@@H](CN2C)c2ccc(cc2)OC)(CO1)C(=O)OC.c12ccccc1ccc1c2[C@H]2[C@]([C@H](CN2C)c2ccc(cc2)OC)(CO1)C(=O)OC
• Title of publication: Methyl 3-(4-methoxyphenyl)-1-methyl-1,2,3,3a,4,11b-hexahydrobenzo[<i>f</i>]chromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate
• Authors of publication: Thenmozhi, S.; SubbiahPandi, A.; Kathiravan, S.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o893
• a: 7.9287 ± 0.0005 Å
• b: 10.8707 ± 0.0006 Å
• c: 11.6884 ± 0.0007 Å
• α: 95.662 ± 0.003°
• β: 92.332 ± 0.004°
• γ: 91.797 ± 0.004°
• Cell volume: 1001.05 ± 0.1 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: 0.0621
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes