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Information card for entry 7159060
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Coordinates | 7159060.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H15 Br N2 O |
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Calculated formula | C19 H15 Br N2 O |
Title of publication | Rh(III)-catalyzed [4 + 1] cyclization of aryl substituted pyrazoles with cyclopropanols <i>via</i> C-H activation. |
Authors of publication | Chen, Wenxi; Mao, Yan; Wang, Min; Ling, Fei; Li, Changchang; Chen, Zhangpei; Yao, Jinzhong |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 4 |
Pages of publication | 775 - 782 |
a | 5.537 ± 0.003 Å |
b | 11.122 ± 0.005 Å |
c | 13.317 ± 0.006 Å |
α | 100.097 ± 0.006° |
β | 96.581 ± 0.006° |
γ | 96.739 ± 0.006° |
Cell volume | 794.1 ± 0.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0563 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.07 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7159060.html
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