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Information card for entry 7206322
Preview
Coordinates | 7206322.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H16 F4 I2 N O |
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Calculated formula | C18 H16 F4 I2 N O |
SMILES | c1(c(c(c(c(c1I)F)F)F)F)I.C1(c2ccccc2C(C)(C)[N]1=O)(C)C |
Title of publication | Vapour phase assembly of a halogen bonded complex of an isoindoline nitroxide and 1,2-diiodotetrafluorobenzene |
Authors of publication | Davy, Karl J. P.; McMurtrie, John; Rintoul, Llew; Bernhardt, Paul V.; Micallef, Aaron S. |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 16 |
Pages of publication | 5062 |
a | 8.6551 ± 0.0002 Å |
b | 12.9917 ± 0.0004 Å |
c | 19.0093 ± 0.0004 Å |
α | 109.596 ± 0.002° |
β | 96.091 ± 0.002° |
γ | 90.55 ± 0.002° |
Cell volume | 1999.99 ± 0.09 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0709 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0392 |
Weighted residual factors for all reflections included in the refinement | 0.041 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7206322.html
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