Information card for entry 7151499

Structure parameters

• Formula: C33 H41 N O4
• Calculated formula: C33 H41 N O4
• SMILES: O(N(OCc1ccc(cc1)C(C)(C)C)C(=O)c1ccc(cc1)C(C)(C)C)C(=O)c1ccc(cc1)C(C)(C)C
• Title of publication: Crystal structures and properties of mutagenic N-acyloxy-N-alkoxyamides ? ?most pyramidal? acyclic amides
• Authors of publication: Gillson, Ashley-Mae E.; Glover, Stephen A.; Tucker, David J.; Turner, Peter
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 19
• Pages of publication: 3430
• a: 9.291 ± 0.0019 Å
• b: 17.063 ± 0.004 Å
• c: 18.64 ± 0.004 Å
• α: 90°
• β: 98.007 ± 0.004°
• γ: 90°
• Cell volume: 2926.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No