Information card for entry 2241257

Structure parameters

• Chemical name: 2-{(<i>R</i>)-[1-(4-Bromophenyl)ethyl]iminomethyl}-4-(phenyldiazenyl)phenol
• Formula: C21 H18 Br N3 O
• Calculated formula: C21 H18 Br N3 O
• SMILES: Brc1ccc([C@@H](C)/N=C/c2cc(ccc2O)N=Nc2ccccc2)cc1
• Title of publication: Crystal structure of 2-{(<i>R</i>)-[1-(4-bromophenyl)ethyl]iminomethyl}-4-(phenyldiazenyl)phenol, a chiral photochromic Schiff base
• Authors of publication: Moriwaki, Ryoji; Akitsu, Takashiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o886 - o887
• a: 7.271 ± 0.003 Å
• b: 41.901 ± 0.015 Å
• c: 5.952 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1813.3 ± 1.2 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes