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Information card for entry 7243671
Preview
Coordinates | 7243671.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H31 Cl N6 O5 S |
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Calculated formula | C30 H31 Cl N6 O5 S |
Title of publication | Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route |
Authors of publication | Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 44 |
Pages of publication | 7739 - 7749 |
a | 13.247 ± 0.006 Å |
b | 7.6192 ± 0.0016 Å |
c | 15.469 ± 0.01 Å |
α | 90° |
β | 92.42 ± 0.06° |
γ | 90° |
Cell volume | 1559.9 ± 1.3 Å3 |
Cell temperature | 394 ± 2 K |
Ambient diffraction temperature | 394 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.4052 |
Residual factor for significantly intense reflections | 0.0956 |
Weighted residual factors for significantly intense reflections | 0.1217 |
Weighted residual factors for all reflections included in the refinement | 0.2293 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7243671.html
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Users of the data should acknowledge the original authors of the
structural data.