Information card for entry 7700017

Structure parameters

• Formula: C27 H28 Al N S2
• Calculated formula: C27 H28 Al N S2
• Title of publication: Reaction of an N/Al FLP-based aluminum hydride toward alkynes: deprotonated alumination versus hydroalumination with regioselective cis-addition character.
• Authors of publication: Chen, Yilin; Jiang, Wenjun; Li, Bin; Fu, Gang; Chen, Shimin; Zhu, Hongping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 25
• Pages of publication: 9152 - 9160
• a: 24.0988 ± 0.0009 Å
• b: 8.701 ± 0.0003 Å
• c: 11.4918 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2409.64 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No