Information card for entry 2225746

Structure parameters

• Chemical name: 4-phenyldiazenyl-2-[(<i>R</i>)-(1-phenylethyl)iminomethyl]phenol
• Formula: C21 H19 N3 O
• Calculated formula: C21 H19 N3 O
• SMILES: Oc1ccc(cc1/C=N/[C@@H](c1ccccc1)C)N=Nc1ccccc1
• Title of publication: 4-Phenyldiazenyl-2-[(<i>R</i>)-(1-phenylethyl)iminomethyl]phenol
• Authors of publication: Aritake, Yoshikazu; Watanabe, Yoshimasa; Akitsu, Takashiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o749
• a: 22.43 ± 0.002 Å
• b: 5.9566 ± 0.0006 Å
• c: 13.467 ± 0.0013 Å
• α: 90°
• β: 106.396 ± 0.001°
• γ: 90°
• Cell volume: 1726.1 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes