Information card for entry 7152301

Structure parameters

• Formula: C17 H13 N O3
• Calculated formula: C17 H13 N O3
• SMILES: O=C1OC2(Cc3c1cccc3)C(=O)N(c1c2cccc1)C
• Title of publication: A catalytic metal-free Ritter reaction to 3-substituted 3-aminooxindoles.
• Authors of publication: Zhou, Feng; Ding, Miao; Zhou, Jian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 16
• Pages of publication: 3178 - 3181
• a: 7.366 ± 0.0004 Å
• b: 9.0252 ± 0.0005 Å
• c: 10.1518 ± 0.0005 Å
• α: 84.572 ± 0.002°
• β: 88.905 ± 0.002°
• γ: 89.911 ± 0.002°
• Cell volume: 671.74 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No