Information card for entry 4123877

Structure parameters

• Common name: VLII-193
• Chemical name: sarpong91
• Formula: C18 H21 N O3 S
• Calculated formula: C18 H21 N O3 S
• Title of publication: Stereodivergent Intramolecular C(sp(3))-H Functionalization of Azavinyl Carbenes: Synthesis of Saturated Heterocycles and Fused N-Heterotricycles.
• Authors of publication: Lindsay, Vincent N. G.; Viart, Hélène M-F; Sarpong, Richmond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 26
• Pages of publication: 8368 - 8371
• a: 8.6569 ± 0.0003 Å
• b: 11.5892 ± 0.0004 Å
• c: 17.4244 ± 0.0007 Å
• α: 90°
• β: 99.303 ± 0.002°
• γ: 90°
• Cell volume: 1725.14 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0648
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No