Information card for entry 2229762

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Methoxyanthracen-1-yl)-2-phenyldiazene
• Formula: C21 H16 N2 O
• Calculated formula: C21 H16 N2 O
• SMILES: c1(ccccc1)/N=N/c1c2cc3ccccc3cc2c(cc1)OC
• Title of publication: (<i>E</i>)-1-(4-Methoxyanthracen-1-yl)-2-phenyldiazene
• Authors of publication: Crochet, Aurelien; Fromm, Katharina M.; Kurteva, Vanya; Antonov, Liudmil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o993
• a: 6.3021 ± 0.0003 Å
• b: 9.0481 ± 0.0004 Å
• c: 27.3935 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1562.03 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes