Information card for entry 2007362

Structure parameters

• Chemical name: Methyl 2-(2'-methoxyphenyl)tetrahydro-1H-thieno[3,4-b]pyrrole-6a(6H)-carboxylate
• Formula: C15 H19 N O3 S
• Calculated formula: C15 H19 N O3 S
• SMILES: S1C[C@H]2[C@](N[C@@H](C2)c2ccccc2OC)(C1)C(=O)OC.S1C[C@@H]2[C@@](N[C@H](C2)c2ccccc2OC)(C1)C(=O)OC
• Title of publication: Methyl 2-(2-Methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1<i>H</i>-thieno[3,4-<i>b</i>]pyrrole-6a-carboxylate
• Authors of publication: Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. A. D'A. Rocha; Pinho e Melo, T. M. V. D.; Cabral, A. M. T. D. P. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 803 - 805
• a: 7.7869 ± 0.0012 Å
• b: 9.6947 ± 0.0013 Å
• c: 9.849 ± 0.002 Å
• α: 93.036 ± 0.014°
• β: 102.402 ± 0.015°
• γ: 98.478 ± 0.013°
• Cell volume: 715.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.046
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes