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Information card for entry 7157074
Preview
Coordinates | 7157074.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H11 Br2 Cl O2 |
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Calculated formula | C16 H11 Br2 Cl O2 |
Title of publication | An easily accessible isospiropyran switch. |
Authors of publication | Neal, Taylor A.; Neal, Jennifer F.; Eippert, Allyson B.; Moore, Curtis; Allen, Heather C.; Badjić, Jovica D |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 41 |
Pages of publication | 9124 - 9128 |
a | 8.6085 ± 0.0008 Å |
b | 9.1123 ± 0.0008 Å |
c | 10.0471 ± 0.001 Å |
α | 74.183 ± 0.003° |
β | 80.293 ± 0.003° |
γ | 85.184 ± 0.003° |
Cell volume | 746.83 ± 0.12 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0292 |
Residual factor for significantly intense reflections | 0.0217 |
Weighted residual factors for significantly intense reflections | 0.0468 |
Weighted residual factors for all reflections included in the refinement | 0.0491 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/7157074.html
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Users of the data should acknowledge the original authors of the
structural data.