Information card for entry 7155166

Structure parameters

• Chemical name: 2-(4-methoxyphenyl)-2-phenyl-, 1-ethyl hydrazinecarboxylic acid ester
• Formula: C16 H18 N2 O3
• Calculated formula: C16 H18 N2 O3
• SMILES: O=C(OCC)NN(c1ccccc1)c1ccc(OC)cc1
• Title of publication: Cp*Rh(iii)-catalyzed electrophilic amination of arylboronic acids with azo compounds for synthesis of arylhydrazides.
• Authors of publication: Lau, Yan-Fung; Chan, Chun-Ming; Zhou, Zhongyuan; Yu, Wing-Yiu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 28
• Pages of publication: 6821 - 6825
• a: 9.7693 ± 0.0004 Å
• b: 16.4783 ± 0.0007 Å
• c: 19.4329 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3128.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c 21 b
• Hall space group symbol: P -2bc -2c
• Residual factor for all reflections: 0.1627
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No