Information card for entry 2243577

Structure parameters

• Chemical name: (1'<i>S</i>,2'<i>S</i>,3<i>S</i>)-1'-Benzoyl-2'-(4-methoxyphenyl)-1-methyl-2',5',6',10b'-tetrahydro-1'<i>H</i>-spiro[indoline-3,3'-pyrrolo[2,1-<i>a</i>]isoquinolin]-2-one
• Formula: C34 H30 N2 O3
• Calculated formula: C34 H30 N2 O3
• Title of publication: Crystal structure of (1'<i>S</i>,2'<i>S</i>,3<i>S</i>)-1'-benzoyl-2'-(4-methoxyphenyl)-1-methyl-2',5',6',10b'-tetrahydro-1'<i>H</i>-spiro[indoline-3,3'-pyrrolo[2,1-<i>a</i>]isoquinolin]-2-one
• Authors of publication: Selvaraj, Janet Priyavathani; Mary, Stella; Dhruba, Jyoti Boruah; Huidrom, Birkumar Singh; Panneerselvam, Yuvaraj; Piskala Subburaman, Kannan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 10
• Pages of publication: 1548 - 1550
• a: 9.5632 ± 0.0001 Å
• b: 17.8067 ± 0.0003 Å
• c: 16.1958 ± 0.0003 Å
• α: 90°
• β: 103.463 ± 0.001°
• γ: 90°
• Cell volume: 2682.18 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes