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Information card for entry 2011993
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| Coordinates | 2011993.cif |
|---|---|
| Structure factors | 2011993.hkl |
| Original IUCr paper | HTML |
| Chemical name | dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate |
|---|---|
| Formula | C26 H34 O4 |
| Calculated formula | C26 H34 O4 |
| SMILES | O(C)C(=O)/C(=C1\C2CC3CC(CC1C3)C2)/C(=C\1C2CC3CC(CC1C3)C2)C(=O)OC |
| Title of publication | Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate |
| Authors of publication | Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | 653 - 656 |
| a | 13.5686 ± 0.0009 Å |
| b | 16.0982 ± 0.0018 Å |
| c | 19.615 ± 0.003 Å |
| α | 90° |
| β | 91.086 ± 0.012° |
| γ | 90° |
| Cell volume | 4283.7 ± 0.9 Å3 |
| Cell temperature | 204 ± 2 K |
| Ambient diffraction temperature | 204 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.101 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for all reflections included in the refinement | 0.159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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