Information card for entry 2239080

Structure parameters

• Chemical name: (4<i>S</i>)-3-Methyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[[1,2]oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione
• Formula: C18 H15 N3 O3
• Calculated formula: C18 H15 N3 O3
• SMILES: c1(c2c(NC3=C(C(=O)CCC3)C32c2ccccc2NC3=O)on1)C
• Title of publication: (4<i>S</i>)-3-Methyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[[1,2]oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione
• Authors of publication: Govindan, E.; Yuvaraj, P. S.; Reddy, B. S. R.; Bangaru Sudarsan Alwar, S.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o168
• a: 10.916 ± 0.0003 Å
• b: 11.9027 ± 0.0003 Å
• c: 12.4848 ± 0.0004 Å
• α: 90°
• β: 111.602 ± 0.001°
• γ: 90°
• Cell volume: 1508.21 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes