Information card for entry 2210737

Structure parameters

• Chemical name: (R)-4-bromo-2-[(1-phenylethyl)iminomethyl]phenol
• Formula: C15 H14 Br N O
• Calculated formula: C15 H14 Br N O
• SMILES: Brc1ccc(O)c(c1)/C=N/[C@H](C)c1ccccc1
• Title of publication: A chiral photochromic Schiff base: (<i>R</i>)-4-bromo-2-[(1-phenylethyl)iminomethyl]phenol
• Authors of publication: Akitsu, Takashiro; Einaga, Yasuaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4315 - o4317
• a: 20.955 ± 0.008 Å
• b: 5.795 ± 0.003 Å
• c: 14.611 ± 0.007 Å
• α: 90°
• β: 129.07 ± 0.03°
• γ: 90°
• Cell volume: 1377.5 ± 1.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes