Information card for entry 2235833

Structure parameters

• Chemical name: 1-[(3-Benzyloxy-2-nitrophenoxy)methyl]benzene
• Formula: C20 H17 N O4
• Calculated formula: C20 H17 N O4
• SMILES: O(Cc1ccccc1)c1cccc(OCc2ccccc2)c1N(=O)=O
• Title of publication: 1-[(3-Benzyloxy-2-nitrophenoxy)methyl]benzene
• Authors of publication: Fun, Hoong-Kun; Arshad, Suhana; Ubaradka, S. R.; Shetty, Prakash; Isloor, Arun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2317 - o2318
• a: 7.615 ± 0.0004 Å
• b: 14.6248 ± 0.0007 Å
• c: 15.2915 ± 0.0008 Å
• α: 94.706 ± 0.001°
• β: 101.627 ± 0.001°
• γ: 90.572 ± 0.001°
• Cell volume: 1661.8 ± 0.15 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes