Information card for entry 8104790

Structure parameters

• Formula: C33 H36 N2 O4
• Calculated formula: C33 H36 N2 O4
• SMILES: N(C[C@H](O)c1cc(NC=O)c(OCc2ccccc2)cc1)([C@@H](Cc1ccc(OC)cc1)C)Cc1ccccc1.N(C[C@@H](O)c1cc(NC=O)c(OCc2ccccc2)cc1)([C@H](Cc1ccc(OC)cc1)C)Cc1ccccc1
• Title of publication: Crystal structure of N-(5-(2-(benzyl(1-(4-methoxyphenyl)propan-2-yl)amino)-1-hydroxyethyl)-2-(benzyloxy)phenyl)formamide, C33H36N2O4
• Authors of publication: Xu, Qin-Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 647 - 649
• a: 15.3543 ± 0.0017 Å
• b: 14.7958 ± 0.0017 Å
• c: 25.496 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5792.2 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No