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Information card for entry 1570784
Preview
Coordinates | 1570784.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 375 |
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Formula | C15 H12 N2 O3 |
Calculated formula | C15 H12 N2 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 | 7.7369 ± 0.0006 Å |
b | 9.7927 ± 0.0009 Å |
c | 16.8291 ± 0.0016 Å |
α | 90° |
β | 100.727 ± 0.004° |
γ | 90° |
Cell volume | 1252.78 ± 0.19 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1478 |
Residual factor for significantly intense reflections | 0.0935 |
Weighted residual factors for significantly intense reflections | 0.2433 |
Weighted residual factors for all reflections included in the refinement | 0.3017 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
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. |
1570784.cif |
289099 | 2024-01-17 | cif/ Adding structures of 1570782, 1570783, 1570784 via cif-deposit CGI script. |
1570784.cif |
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