Information card for entry 7116514

Structure parameters

• Chemical name: 010mwj14
• Formula: C5 H5 Cl2 N O2
• Calculated formula: C5 H5 Cl2 N O2
• Title of publication: A robust and modular synthesis of ynamides
• Authors of publication: Steven J. Mansfield; Craig D. Campbell; Michael W. Jones; Edward A. Anderson
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3316
• a: 5.8679 ± 0.0002 Å
• b: 10.425 ± 0.0003 Å
• c: 11.8622 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 725.64 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Ambient diffracton pressure: 102 kPa
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No