Information card for entry 7124113

Structure parameters

• Formula: C28 H18 Cl Mn N2 O2
• Calculated formula: C28 H18 Cl Mn N2 O2
• Title of publication: Primary Amides to Amines or Nitriles: Dual Role by a Single Catalyst
• Authors of publication: Mandal, Swadhin K.; Das, Hari Sankar; Das, Shyamal; Dey, Kartick; Singh, Bhagat; Koottanil Haridasan, Rahul; Das, Arpan; Ahmed, Jasimuddin
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.098 ± 0.001 Å
• b: 11.6602 ± 0.0007 Å
• c: 18.3347 ± 0.0011 Å
• α: 90°
• β: 104.276 ± 0.007°
• γ: 90°
• Cell volume: 2092.1 ± 0.3 ų
• Cell temperature: 103 ± 5 K
• Ambient diffraction temperature: 103 ± 5 K
• Number of distinct elements: 6
• 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: 0.0804
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No