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Information card for entry 2205303
Preview
Coordinates | 2205303.cif |
---|---|
Structure factors | 2205303.hkl |
Original IUCr paper | HTML |
Chemical name | (1RS,2SR,7RS,8RS)-N-Benzoyltricyclo[6.2.2.0^2,7^]dodeca-9,11-diene-1,10- dicarboximide |
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Formula | C21 H19 N O3 |
Calculated formula | C21 H19 N O3 |
SMILES | N1(C(=O)[C@]23[C@H]4CCCC[C@@H]4[C@H](C=C2C1=O)C=C3)C(=O)c1ccccc1.N1(C(=O)[C@@]23[C@@H]4CCCC[C@H]4[C@@H](C=C2C1=O)C=C3)C(=O)c1ccccc1 |
Title of publication | (1<i>RS</i>,2<i>S</i><i>R</i>,7<i>RS</i>,8<i>RS</i>)-<i>N</i>-Benzoyltricyclo[6.2.2.0^2,7^]dodeca-9,11-diene-1,10-dicarboximide |
Authors of publication | McSweeney, Nigel; Pratt, Albert C.; Long, Conor; Howie, R. Alan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 3 |
Pages of publication | o547 - o549 |
a | 8.111 ± 0.003 Å |
b | 12.999 ± 0.007 Å |
c | 16.256 ± 0.005 Å |
α | 90° |
β | 100.76 ± 0.03° |
γ | 90° |
Cell volume | 1683.8 ± 1.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1699 |
Residual factor for significantly intense reflections | 0.0876 |
Weighted residual factors for significantly intense reflections | 0.1637 |
Weighted residual factors for all reflections included in the refinement | 0.1922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2205303.html
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Users of the data should acknowledge the original authors of the
structural data.