Information card for entry 1507361

Structure parameters

• Formula: C42 H50 N6 O9
• Calculated formula: C42 H50 N6 O9
• SMILES: O=C1C(C(=O)C(=CNc2ccccc2NC(=O)OC(C)(C)C)C(=O)C1=CNc1ccccc1NC(=O)OC(C)(C)C)=CNc1ccccc1NC(=O)OC(C)(C)C
• Title of publication: Highly stable keto-enamine salicylideneanilines.
• Authors of publication: Chong, Jonathan H.; Sauer, Marc; Patrick, Brian O.; MacLachlan, Mark J.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 21
• Pages of publication: 3823 - 3826
• a: 11.2522 ± 0.0005 Å
• b: 22.989 ± 0.0012 Å
• c: 37.8075 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9779.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1556
• Residual factor for significantly intense reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.2585
• Weighted residual factors for all reflections included in the refinement: 0.2918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No