Information card for entry 2221103

Structure parameters

• Common name: 411.0(10)
• Chemical name: 4-Benzyloxy-3-methoxybenzonitrile
• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• SMILES: O(Cc1ccccc1)c1c(OC)cc(cc1)C#N
• Title of publication: 4-Benzyloxy-3-methoxybenzonitrile
• Authors of publication: Hanif, Muhammad; Rafiq, Muhammad; Saleem, Muhammad; Qadeer, Ghulam; Wong, Wai-Yeung
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o572
• a: 14.9434 ± 0.0012 Å
• b: 9.5469 ± 0.0008 Å
• c: 8.8522 ± 0.0007 Å
• α: 90°
• β: 102.663 ± 0.002°
• γ: 90°
• Cell volume: 1232.16 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes