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Information card for entry 7249029
Preview
Coordinates | 7249029.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H6 N2 O3 |
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Calculated formula | C9 H6 N2 O3 |
Title of publication | Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes |
Authors of publication | Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 31 |
Pages of publication | 4137 - 4145 |
a | 19.0306 ± 0.0007 Å |
b | 6.4052 ± 0.0002 Å |
c | 14.0416 ± 0.0005 Å |
α | 90° |
β | 102.248 ± 0.004° |
γ | 90° |
Cell volume | 1672.64 ± 0.1 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0742 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.1305 |
Weighted residual factors for all reflections included in the refinement | 0.15 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7249029.html
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Users of the data should acknowledge the original authors of the
structural data.