Information card for entry 2214167

Structure parameters

• Chemical name: <i>N</i>-Benzyl-2-[3,5-bis(benzyloxy)benzyloxy]benzamide
• Formula: C35 H31 N O4
• Calculated formula: C35 H31 N O4
• SMILES: O(c1ccccc1C(=O)NCc1ccccc1)Cc1cc(OCc2ccccc2)cc(c1)OCc1ccccc1
• Title of publication: <i>N</i>-Benzyl-2-[3,5-bis(benzyloxy)benzyloxy]benzamide
• Authors of publication: Tang, Zheng-Hua; Tang, Yu; Cao, Xiao-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3283 - o3283
• a: 10.8413 ± 0.0011 Å
• b: 13.4524 ± 0.0013 Å
• c: 19.761 ± 0.002 Å
• α: 90°
• β: 98.749 ± 0.002°
• γ: 90°
• Cell volume: 2848.4 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0959
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes