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Information card for entry 7225241
Preview
Coordinates | 7225241.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H28 O8 |
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Calculated formula | C32 H28 O8 |
Title of publication | Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters |
Authors of publication | Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 24 |
Pages of publication | 4513 |
a | 7.523 ± 0.0015 Å |
b | 11.901 ± 0.002 Å |
c | 15.487 ± 0.003 Å |
α | 107.5 ± 0.03° |
β | 101.49 ± 0.03° |
γ | 96.92 ± 0.03° |
Cell volume | 1271.5 ± 0.5 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0636 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1349 |
Weighted residual factors for all reflections included in the refinement | 0.1432 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
185222 (current) | 2016-08-07 | cif/ Updating files of 7225240, 7225241, 7225242, 7225243 Original log message: Adding full bibliography for 7225240--7225243.cif. |
7225241.cif |
182956 | 2016-05-14 | cif/ Adding structures of 7225240, 7225241, 7225242, 7225243 via cif-deposit CGI script. |
7225241.cif |
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Users of the data should acknowledge the original authors of the
structural data.