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Information card for entry 7021080
Preview
Coordinates | 7021080.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H31 N O2 S |
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Calculated formula | C31 H31 N O2 S |
Title of publication | Generation of 6H-benzo[f]cyclopenta[d][1,2]thiazepine 5,5-dioxides via a palladium-catalyzed reaction of 2-(2-alkynyl)benzenesulfonamide. |
Authors of publication | Wang, Huanhuan; Luo, Yong; Hou, Xiufeng; Wu, Jie |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 13 |
Pages of publication | 4410 - 4415 |
a | 10.517 ± 0.004 Å |
b | 13.401 ± 0.005 Å |
c | 18.699 ± 0.007 Å |
α | 90° |
β | 90.737 ± 0.005° |
γ | 90° |
Cell volume | 2635.2 ± 1.7 Å3 |
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 | 0.0706 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1377 |
Weighted residual factors for all reflections included in the refinement | 0.1521 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7021080.html
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