Information card for entry 1502253

Structure parameters

• Formula: C24 H21 N O3
• Calculated formula: C24 H21 N O3
• SMILES: O(C(=O)N1OC2(c3c(C1(c1c2cccc1)C)cccc3)C)Cc1ccccc1
• Title of publication: Copper(II)-catalyzed room temperature aerobic oxidation of hydroxamic acids and hydrazides to acyl-nitroso and azo intermediates, and their Diels-Alder trapping.
• Authors of publication: Chaiyaveij, Duangduan; Cleary, Leah; Batsanov, Andrei S.; Marder, Todd B.; Shea, Kenneth J.; Whiting, Andrew
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 3442 - 3445
• a: 8.3176 ± 0.0003 Å
• b: 16.6568 ± 0.0004 Å
• c: 13.6584 ± 0.0004 Å
• α: 90°
• β: 90.566 ± 0.007°
• γ: 90°
• Cell volume: 1892.21 ± 0.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0503
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No