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Information card for entry 7212380
Preview
| Coordinates | 7212380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (1E,11E,16Z,26Z)-3,4:9,10:18,19:24,25-Tetrabenzo-14,29- dimethyl-5,8,20,23-tetraoxa-tricyclo(25.3.1.1(12,16))dotriaconta- 1,3,9,11,16,18,24,26-octaene-31,32-dione chloroform solvate |
|---|---|
| Chemical name | (1E,11E,16Z,26Z)-3,4:9,10:18,19:24,25-Tetrabenzo-14,29-dimethyl-5,8,20,23- tetraoxa-tricyclo[25.3.1.1(12,16)]dotriaconta-1,3,9,11,16,18,24,26-octaene- 31,32-dione chloroform solvate |
| Formula | C24 H23 Cl3 O3 |
| Calculated formula | C24 H23 Cl3 O3 |
| Title of publication | Closing the cavity: reactive and light switchable dienone-ether macrocycles |
| Authors of publication | Higham, Luke T.; Scott, Janet L.; Strauss, Christopher R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 2803 |
| a | 15.7123 ± 0.0002 Å |
| b | 17.7118 ± 0.0003 Å |
| c | 8.1342 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2263.69 ± 0.15 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0688 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7212380.cif |
| 180454 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/23. |
7212380.cif |
| 92907 | 2014-01-12 | cif/ Adding structures of 7212379, 7212380, 7212381 via cif-deposit CGI script. |
7212380.cif |
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