Information card for entry 1506499

Structure parameters

• Formula: C30 H28 N2 O7
• Calculated formula: C30 H28 N2 O7
• SMILES: O=C(O)[C@](OCc1ccc(OC)cc1)([C@H](Nc1ccc(OC)cc1)c1ccc(N(=O)=O)cc1)c1ccccc1.O=C(O)[C@@](OCc1ccc(OC)cc1)([C@@H](Nc1ccc(OC)cc1)c1ccc(N(=O)=O)cc1)c1ccccc1
• Title of publication: Three-component reaction of aryl diazoacetates, alcohols, and aldehydes (or imines): evidence of alcoholic oxonium ylide intermediates.
• Authors of publication: Lu, Chong-Dao; Liu, Hui; Chen, Zhi-Yong; Hu, Wen-Hao; Mi, Ai-Qiao
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 83 - 86
• a: 9.058 ± 0.0015 Å
• b: 10.3496 ± 0.0018 Å
• c: 14.987 ± 0.003 Å
• α: 74.357 ± 0.003°
• β: 78.955 ± 0.003°
• γ: 86.161 ± 0.003°
• Cell volume: 1327.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No