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Information card for entry 1570783
Preview
Coordinates | 1570783.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 399 |
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Formula | C21 H15 N O3 |
Calculated formula | C21 H15 N O3 |
Title of publication | Nitrogen atom insertion into arenols to access benzazepines. |
Authors of publication | He, Yi; Wang, Juanjuan; Zhu, Tongtong; Zheng, Zhaojing; Wei, Hao |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 7 |
Pages of publication | 2612 - 2617 |
a | 7.762 ± 0.0005 Å |
b | 12.9308 ± 0.0009 Å |
c | 15.9453 ± 0.001 Å |
α | 90° |
β | 94.829 ± 0.002° |
γ | 90° |
Cell volume | 1594.73 ± 0.18 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1257 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.0962 |
Weighted residual factors for all reflections included in the refinement | 0.1195 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
Diffraction radiation wavelength | 1.34138 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
290127 (current) | 2024-03-04 | cif/ Updating files of 1570782, 1570783, 1570784 Original log message: Adding full bibliography for 1570782--1570784.cif. |
1570783.cif |
289099 | 2024-01-17 | cif/ Adding structures of 1570782, 1570783, 1570784 via cif-deposit CGI script. |
1570783.cif |
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