Information card for entry 8107012

Structure parameters

• Formula: C22 H17 Cl2 N O2
• Calculated formula: C22 H17 Cl2 N O2
• Title of publication: Crystal structure of 9-allyl-4,5-dichloro-12-cyano-9,10-dihydro-9,10-ethanoanthracen-12-yl acetate, C22H17Cl2NO2
• Authors of publication: Sultan, Mujeeb A.; Karama, Usama; Almansour, Abdulrahman I.; Al-saeedi, Adel; Ghabbour, Hazem A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 801 - 803
• a: 8.996 ± 0.0002 Å
• b: 15.9202 ± 0.0004 Å
• c: 13.2049 ± 0.0003 Å
• α: 90°
• β: 94.369 ± 0.001°
• γ: 90°
• Cell volume: 1885.69 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No