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Information card for entry 1574028
Preview
Coordinates | 1574028.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H12 B N3 |
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Calculated formula | C17 H12 B N3 |
Title of publication | Mechanistic investigation on cellular internalization triggering structure-induced conformational modulation of boron-nitrogen luminogens. |
Authors of publication | Parui, Retwik; Roy, Hirakjyoti; Meher, Niranjan; Ghosh, Siddhartha Sankar; Iyer, Parameswar Krishnan |
Journal of publication | Chemical science |
Year of publication | 2025 |
Journal volume | 16 |
Journal issue | 14 |
Pages of publication | 6023 - 6034 |
a | 8.2259 ± 0.0007 Å |
b | 26.151 ± 0.002 Å |
c | 19.2586 ± 0.0017 Å |
α | 90° |
β | 95.282 ± 0.002° |
γ | 90° |
Cell volume | 4125.2 ± 0.6 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273.15 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 | 0.1229 |
Residual factor for significantly intense reflections | 0.0849 |
Weighted residual factors for significantly intense reflections | 0.1557 |
Weighted residual factors for all reflections included in the refinement | 0.1811 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
298831 (current) | 2025-04-05 | cif/ Updating files of 1574024, 1574025, 1574026, 1574027, 1574028 Original log message: Adding full bibliography for 1574024--1574028.cif. |
1574028.cif |
297925 | 2025-03-01 | cif/ Adding structures of 1574024, 1574025, 1574026, 1574027, 1574028 via cif-deposit CGI script. |
1574028.cif |
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Users of the data should acknowledge the original authors of the
structural data.