Information card for entry 1556030

Structure parameters

• Formula: C24 H26 N2 O6
• Calculated formula: C24 H26 N2 O6
• SMILES: O=C(OCc1ccccc1)C1=C(N2N(C(=O)OC)[C@H](O)C[C@]2(c2ccc(OC)cc2)C1)C
• Title of publication: Asymmetric Cascade Assembly of 1,2-Diaza-1,3-dienes and α,β-Unsaturated Aldehydes via Dienamine Activation.
• Authors of publication: Ran, Guang-Yao; Gong, Ming; Yue, Jing-Fei; Yang, Xing-Xing; Zhou, Su-Lan; Du, Wei; Chen, Ying-Chun
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1874 - 1877
• a: 11.0167 ± 0.0004 Å
• b: 8.4713 ± 0.0003 Å
• c: 13.145 ± 0.0005 Å
• α: 90°
• β: 112.969 ± 0.004°
• γ: 90°
• Cell volume: 1129.5 ± 0.08 ų
• Cell temperature: 294.16 ± 0.13 K
• Ambient diffraction temperature: 294.16 ± 0.13 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No