Information card for entry 4031764

Structure parameters

• Formula: C27 H29 N O3 S
• Calculated formula: C27 H29 N O3 S
• SMILES: S(=O)(=O)(/C(=C(\c1c(cccc1)C)c1ccccc1)C(=N/O)/CCCC)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: 19.0086 ± 0.0004 Å
• b: 8.50881 ± 0.00015 Å
• c: 30.3715 ± 0.0006 Å
• α: 90°
• β: 103.946 ± 0.0007°
• γ: 90°
• Cell volume: 4767.52 ± 0.16 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No