Information card for entry 1517252

Structure parameters

• Formula: C19 H18 Cl N O2
• Calculated formula: C19 H18 Cl N O2
• SMILES: Clc1ccc(N2C(=Cc3ccccc3CC2)C(=O)OCC)cc1
• Title of publication: Metal-free visible-light induced cross-dehydrogenative coupling of tertiary amines with diazo compounds.
• Authors of publication: Xiao, Tiebo; Li, Linyong; Lin, Guoliang; Mao, Zong-Wan; Zhou, Lei
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 4232 - 4235
• a: 10.4739 ± 0.0008 Å
• b: 14.9845 ± 0.0009 Å
• c: 10.5112 ± 0.0009 Å
• α: 90°
• β: 96.966 ± 0.007°
• γ: 90°
• Cell volume: 1637.5 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0632
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No