Information card for entry 4031763

Structure parameters

• Formula: C33 H30 Br N O4 S
• Calculated formula: C33 H30 Br N O4 S
• SMILES: Brc1ccc(cc1)C(=O)ON=C(CCCC)C(=C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Synthesis of α-Substituted Enoximes with Nucleophiles via Nitrosoallenes.
• Authors of publication: Tanimoto, Hiroki; Yokoyama, Keiichi; Mizutani, Yusuke; Shitaoka, Takashi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 2
• Pages of publication: 559 - 574
• a: 7.65835 ± 0.00018 Å
• b: 7.90588 ± 0.00018 Å
• c: 24.3938 ± 0.0007 Å
• α: 88.9061 ± 0.0007°
• β: 82.0333 ± 0.0007°
• γ: 79.5504 ± 0.0007°
• Cell volume: 1438.41 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No