Information card for entry 7153809

Structure parameters

• Formula: C16 H10 Cl N O2
• Calculated formula: C16 H10 Cl N O2
• SMILES: Clc1c2C(=C\C(=O)c3ccccc3)\C(=O)Nc2ccc1
• Title of publication: Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.
• Authors of publication: Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 3201 - 3210
• a: 5.3737 ± 0.0008 Å
• b: 10.8985 ± 0.0017 Å
• c: 11.5417 ± 0.0018 Å
• α: 98.268 ± 0.005°
• β: 99.008 ± 0.005°
• γ: 100.544 ± 0.005°
• Cell volume: 645.9 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No