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Information card for entry 7212381
Preview
Coordinates | 7212381.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (1E,11E,16Z,27Z)-3,4:9,10:18,19:25,26-Tetrabenzo-5,8,20,24- tetraoxa-tricyclo(26.3.1.1(12,16))tritriaconta-1,3,9,11,16,18,25,27- octaene-32,33-dione chloroform solvate |
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Chemical name | (1E,11E,16Z,27Z)-3,4:9,10:18,19:25,26-Tetrabenzo-5,8,20,24-tetraoxa- tricyclo[26.3.1.1(12,16)]tritriaconta-1,3,9,11,16,18,25,27-octaene-32,33-dione chloroform solvate |
Formula | C23.5 H22 Cl3 O3 |
Calculated formula | C23.5 H22 Cl3.01 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 | 15.2347 ± 0.0005 Å |
b | 9.1731 ± 0.0003 Å |
c | 16.4115 ± 0.0007 Å |
α | 90° |
β | 91.89 ± 0.03° |
γ | 90° |
Cell volume | 2292.25 ± 0.15 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.3581 |
Residual factor for significantly intense reflections | 0.1515 |
Weighted residual factors for significantly intense reflections | 0.4033 |
Weighted residual factors for all reflections included in the refinement | 0.4895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.193 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7212381.html
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