Information card for entry 1515391

Structure parameters

• Formula: C24 H27 N O3 S
• Calculated formula: C24 H27 N O3 S
• SMILES: S([C@@H]1C[C@@]2(CCCC(=O)C2)[C@H](N(=O)=O)[C@H](C1)c1ccccc1)Cc1ccccc1
• Title of publication: Direct Remote Asymmetric Bisvinylogous 1,4-Additions of Cyclic 2,5-Dienones to Nitroalkenes.
• Authors of publication: Zhou, Zhi; Feng, Xin; Yin, Xiang; Chen, Ying-Chun
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 2370 - 2373
• a: 6.8189 ± 0.0016 Å
• b: 9.465 ± 0.002 Å
• c: 33.233 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2144.9 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No