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Information card for entry 7134812
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Coordinates | 7134812.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H17 Br N2 O2 |
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Calculated formula | C24 H17 Br N2 O2 |
Title of publication | Water-Driven Modulation of Multiresponsive Properties in Acylhydrazone-based Crystals |
Authors of publication | Manoharan, Deepak; Bhowmik, Aritra; Mishra, Manish Kumar; Ghosh, Soumyajit |
Journal of publication | Chemical Communications |
Year of publication | 2025 |
a | 4.723 ± 0.003 Å |
b | 12.844 ± 0.01 Å |
c | 32.01 ± 0.02 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1942 ± 2 Å3 |
Cell temperature | 300 K |
Ambient diffraction temperature | 300 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 | 0.0842 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.0718 |
Weighted residual factors for all reflections included in the refinement | 0.0859 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
300350 (current) | 2025-07-05 | cif/ Adding structures of 7134810, 7134811, 7134812 via cif-deposit CGI script. |
7134812.cif |
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Users of the data should acknowledge the original authors of the
structural data.