Information card for entry 7125772

Structure parameters

• Formula: C27 H29 N O3 S2
• Calculated formula: C27 H29 N O3 S2
• Title of publication: The regioselective annulation of alkylidenecyclopropanes by Rh(iii)-catalyzed C-H/C-C activation to access spirocyclic benzosultams.
• Authors of publication: Li, Qiuyun; Yuan, Xin; Li, Bin; Wang, Baiquan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1835 - 1838
• a: 8.1485 ± 0.0002 Å
• b: 9.0966 ± 0.0005 Å
• c: 16.9811 ± 0.0006 Å
• α: 103.951 ± 0.004°
• β: 91.35 ± 0.003°
• γ: 100.482 ± 0.003°
• Cell volume: 1198.19 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No