Information card for entry 2206590

Structure parameters

• Chemical name: 2,4-Bis[2-(benzylaminocarbonyl)phenoxymethyl]-1,3,5-trimethylbenzene
• Formula: C39 H38 N2 O4
• Calculated formula: C39 H38 N2 O4
• Title of publication: 2,4-Bis[2-(benzylaminocarbonyl)phenoxymethyl]-1,3,5-trimethylbenzene
• Authors of publication: Tang, Yu; Tang, Kuan-Zhen; Zhang, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2489 - o2490
• a: 20.5494 ± 0.001 Å
• b: 12.1369 ± 0.001 Å
• c: 16.3862 ± 0.0014 Å
• α: 90°
• β: 126.097 ± 0.01°
• γ: 90°
• Cell volume: 3302.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes