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Information card for entry 7062566
Preview
Coordinates | 7062566.cif |
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Original paper (by DOI) | HTML |
Chemical name | (5bS,12cS,Z)-6-benzylidene-7-tosyl-5b,6,7,12c,13,14-hexahydro-5H-benzo[4',5']thieno- [3',2':5,6]pyrido[3,4-a]carbazole |
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Formula | C35 H28 N2 O2 S2 |
Calculated formula | C35 H28 N2 O2 S2 |
Title of publication | Organocatalytic stereoselective construction of polycyclic benzo[b]thiophenes from 2-aminobenzo[b]thiophenes and alkynyl-substituted enones |
Authors of publication | Niu, Cheng; Zheng, Yao; Du, Da-Ming |
Journal of publication | New Journal of Chemistry |
Year of publication | 2023 |
Journal volume | 47 |
Journal issue | 30 |
Pages of publication | 14515 - 14519 |
a | 9.6474 ± 0.0014 Å |
b | 13.1696 ± 0.0019 Å |
c | 22.923 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2912.4 ± 0.7 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0904 |
Residual factor for significantly intense reflections | 0.0706 |
Weighted residual factors for significantly intense reflections | 0.1865 |
Weighted residual factors for all reflections included in the refinement | 0.2164 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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