Information card for entry 1520463

Structure parameters

• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: C1(=O)/C(=C/c2ccc(cc2)OC)c2ccccc2N1
• Title of publication: Methoxy oxindole
• Authors of publication: Onyeabo, Romanus O.; Edwards, Mark; Spencer, John; Tizzard, Graham J.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2010
• Pages of publication: 1327
• a: 4.1302 ± 0.0002 Å
• b: 12.9513 ± 0.0009 Å
• c: 13.0829 ± 0.0009 Å
• α: 62.708 ± 0.003°
• β: 86.495 ± 0.004°
• γ: 86.546 ± 0.004°
• Cell volume: 620.35 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1415
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No