Information card for entry 2228988

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dibenzyl-2,2'-(3,6-dioxaoctane-1,8-diyldioxy)dibenzamide
• Formula: C34 H36 N2 O6
• Calculated formula: C34 H36 N2 O6
• SMILES: O=C(c1ccccc1OCCOCCOCCOc1ccccc1C(=O)NCc1ccccc1)NCc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Dibenzyl-2,2'-(3,6-dioxaoctane-1,8-diyldioxy)dibenzamide
• Authors of publication: Wen, Yong-Hong; Dai, Ji-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o455
• a: 12.065 ± 0.003 Å
• b: 15.964 ± 0.004 Å
• c: 8.251 ± 0.002 Å
• α: 90°
• β: 104.82 ± 0.005°
• γ: 90°
• Cell volume: 1536.3 ± 0.7 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: 0.1235
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1489
• 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