Information card for entry 7700473

Structure parameters

• Formula: C21 H17 N2 P S
• Calculated formula: C21 H17 N2 P S
• Title of publication: Aluminium complex as an efficient catalyst for the chemo-selective reduction of amides to amines.
• Authors of publication: Das, Suman; Karmakar, Himadri; Bhattacharjee, Jayeeta; Panda, Tarun K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 31
• Pages of publication: 11978 - 11984
• a: 9.6363 ± 0.0004 Å
• b: 15.4223 ± 0.0006 Å
• c: 12.3931 ± 0.0004 Å
• α: 90°
• β: 104.016 ± 0.004°
• γ: 90°
• Cell volume: 1786.95 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.101
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No