Information card for entry 1544170

Structure parameters

• Formula: C30 H34 Cl N O2
• Calculated formula: C30 H34 Cl N O2
• SMILES: Cl[C@H]([C@]1(c2c(N(C1=O)C)cccc2)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1ccccc1.Cl[C@@H]([C@@]1(c2c(N(C1=O)C)cccc2)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1ccccc1
• Title of publication: Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.
• Authors of publication: Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 4888 - 4891
• a: 14.1486 ± 0.0007 Å
• b: 11.072 ± 0.0006 Å
• c: 17.2118 ± 0.0009 Å
• α: 90°
• β: 92.697 ± 0.005°
• γ: 90°
• Cell volume: 2693.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No