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Information card for entry 7131382
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Coordinates | 7131382.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H20 N2 O3 |
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Calculated formula | C24 H20 N2 O3 |
Title of publication | Non-stoichiometric carbamazepine cocrystal hydrates of 3,4-/3,5-dihydroxybenzoic acids: coformer-water exchange. |
Authors of publication | Rajbongshi, Trishna; Sarmah, Kashyap Kumar; Das, Susobhan; Deka, Poonam; Saha, Arijit; Saha, Binoy K.; Puschmann, Horst; Reddy, C. Malla; Thakuria, Ranjit |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 26 |
Pages of publication | 3902 - 3905 |
a | 15.3512 ± 0.0008 Å |
b | 5.4506 ± 0.0003 Å |
c | 23.7358 ± 0.0013 Å |
α | 90° |
β | 96.167 ± 0.003° |
γ | 90° |
Cell volume | 1974.56 ± 0.18 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0627 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1458 |
Weighted residual factors for all reflections included in the refinement | 0.1579 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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