Information card for entry 1559235

Structure parameters

• Formula: C9 H12 Al Cl S
• Calculated formula: C9 H12 Al Cl S
• Title of publication: Aluminum-Based Initiators from Thiols for Epoxide Polymerizations
• Authors of publication: Safaie, Niloofar; Rawal, Bandana; Ohno, Kohji; Ferrier, Robert C.
• Journal of publication: Macromolecules
• Year of publication: 2020
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 8181 - 8191
• a: 11.40835 ± 0.00019 Å
• b: 13.7459 ± 0.0003 Å
• c: 7.12221 ± 0.00012 Å
• α: 90°
• β: 98.8139 ± 0.0015°
• γ: 90°
• Cell volume: 1103.7 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No