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Information card for entry 7114809
Preview
Coordinates | 7114809.cif |
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Original paper (by DOI) | HTML |
Formula | C18.33 H20.33 Cl0.33 N2 O3 |
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Calculated formula | C18.3333 H20.3333 Cl0.333333 N2 O3 |
Title of publication | Substituent effects on aromatic interactions in the solid state |
Authors of publication | Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M. |
Journal of publication | Chemical Communications |
Year of publication | 2001 |
Journal issue | 16 |
Pages of publication | 1500 |
a | 12.782 ± 0.005 Å |
b | 14.751 ± 0.006 Å |
c | 15.297 ± 0.006 Å |
α | 117.47 ± 0.008° |
β | 92.146 ± 0.008° |
γ | 95.081 ± 0.008° |
Cell volume | 2538.9 ± 1.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.198 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1465 |
Weighted residual factors for all reflections included in the refinement | 0.1951 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.722 |
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/7114809.html
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