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Information card for entry 7229920
Preview
Coordinates | 7229920.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | ABN.2DMABN |
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Formula | C25 H26 N6 |
Calculated formula | C25 H26 N6 |
SMILES | N(c1ccc(cc1)C#N)(C)C.Nc1ccc(cc1)C#N.N(c1ccc(cc1)C#N)(C)C |
Title of publication | Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range |
Authors of publication | Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J. |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 5 |
Pages of publication | 631 |
a | 9.7661 ± 0.0003 Å |
b | 25.2392 ± 0.0008 Å |
c | 19.0103 ± 0.0006 Å |
α | 90° |
β | 104.274 ± 0.001° |
γ | 90° |
Cell volume | 4541.2 ± 0.2 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1366 |
Residual factor for significantly intense reflections | 0.0888 |
Weighted residual factors for significantly intense reflections | 0.2262 |
Weighted residual factors for all reflections included in the refinement | 0.2896 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/7229920.html
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Users of the data should acknowledge the original authors of the
structural data.