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Information card for entry 4028181
Preview
Coordinates | 4028181.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17.25 H21 I O3.75 |
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Calculated formula | C17.25 H21 I O3.75 |
SMILES | [I]1(OC(=O)c2c1c(C)ccc2)c1c(C)cc(C)cc1C.O.O.OC |
Title of publication | Preparation and x-ray Structural Study of 1-Arylbenziodoxolones |
Authors of publication | Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 3767 - 3773 |
a | 11.4401 ± 0.0004 Å |
b | 17.2638 ± 0.0006 Å |
c | 20.1815 ± 0.0014 Å |
α | 103.013 ± 0.007° |
β | 106.063 ± 0.008° |
γ | 108.802 ± 0.008° |
Cell volume | 3402.5 ± 0.5 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0502 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for all reflections | 0.0961 |
Weighted residual factors for significantly intense reflections | 0.0874 |
Weighted residual factors for all reflections included in the refinement | 0.0961 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9749 |
Diffraction radiation wavelength | 0.71075 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/4028181.html
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Users of the data should acknowledge the original authors of the
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