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Information card for entry 2003917
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Coordinates | 2003917.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (1S,2S,4R,4'R)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one |
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Formula | C13 H19 Cl O3 |
Calculated formula | C13 H19 Cl O3 |
SMILES | ClC[C@H]1CO[C@@]2(O1)C(=O)[C@]1(C([C@@H]2CC1)(C)C)C |
Title of publication | Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone |
Authors of publication | Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 9 |
Pages of publication | 1825 - 1829 |
a | 7.22 ± 0.0013 Å |
b | 7.6439 ± 0.0015 Å |
c | 12.148 ± 0.003 Å |
α | 90° |
β | 93.9 ± 0.02° |
γ | 90° |
Cell volume | 668.9 ± 0.2 Å3 |
Cell temperature | 240 ± 2 K |
Ambient diffraction temperature | 240 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0303 |
Residual factor for significantly intense reflections | 0.0284 |
Weighted residual factors for all reflections | 0.0776 |
Weighted residual factors for significantly intense reflections | 0.0756 |
Goodness-of-fit parameter for all reflections | 1.091 |
Goodness-of-fit parameter for significantly intense reflections | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/2003917.html
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