Information card for entry 2205985

Structure parameters

• Chemical name: (+)-(4aR,9aS)-O-(4-Bromobenzoyl)-N-(3-methylanthracen-9-ylidene)hydroxylamine
• Formula: C22 H20 Br N O2
• Calculated formula: C22 H20 Br N O2
• SMILES: Brc1ccc(cc1)C(=O)O/N=C/1[C@H]2CCC(=C[C@H]2Cc2ccccc12)C
• Title of publication: (+)-(4a<i>R</i>,9a<i>S</i>)-<i>O</i>-(4-Bromobenzoyl)-<i>N</i>-(3-methylanthracen-9-ylidene)hydroxylamine
• Authors of publication: Ohba, Shigeru; Ishida, Naoyuki; Kato, Dai-ichiro; Miyamoto, Kenji; Ohta, Hiromichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1620 - o1621
• a: 10.536 ± 0.002 Å
• b: 19.225 ± 0.005 Å
• c: 9.5 ± 0.002 Å
• α: 90°
• β: 97.67 ± 0.02°
• γ: 90°
• Cell volume: 1907.1 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.2314
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No