Information card for entry 4104880

Structure parameters

• Formula: C23 H29 N O2
• Calculated formula: C23 H29 N O2
• SMILES: N(c1cc(ccc1C(C)(C)C)C(C)(C)C)(C(=O)C(=O)c1ccccc1)C
• Title of publication: Enantiospecific Photochemical Norrish/Yang Type II Reaction of Nonbiaryl Atropchiral α-Oxoamides in Solution-Axial to Point Chirality Transfer
• Authors of publication: Anoklase Jean-Luc Ayitou; Josepha L. Jesuraj; Nilotpal Barooah; Angel Ugrinov; J. Sivaguru
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11314 - 11315
• a: 9.6015 ± 0.0016 Å
• b: 12.896 ± 0.002 Å
• c: 16.782 ± 0.003 Å
• α: 90°
• β: 92.29 ± 0.003°
• γ: 90°
• Cell volume: 2076.3 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No