Information card for entry 2223331

Structure parameters

• Chemical name: (<i>R</i>)-4-methoxy-2-[(1-phenylethyl)iminomethyl]phenol
• Formula: C16 H17 N O2
• Calculated formula: C16 H17 N O2
• SMILES: Oc1ccc(OC)cc1/C=N/[C@H](C)c1ccccc1
• Title of publication: A chiral photochromic Schiff base: (<i>R</i>)-4-methoxy-2-[(1-phenylethyl)iminomethyl]phenol
• Authors of publication: Miura, Yukie; Aritake, Yoshikazu; Akitsu, Takashiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2381
• a: 8.27 ± 0.004 Å
• b: 5.886 ± 0.003 Å
• c: 13.92 ± 0.007 Å
• α: 90°
• β: 93.254 ± 0.007°
• γ: 90°
• Cell volume: 676.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes