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Information card for entry 1505100
Preview
Coordinates | 1505100.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H16 |
---|---|
Calculated formula | C32 H16 |
SMILES | c1ccc2c(c1)c1ccc3c4c1c2ccc4c1c2c3ccc3c2c(cc1)c1c3cccc1 |
Title of publication | Enantiotropic Polymorphism in Di-indenoperylene |
Authors of publication | Heinrich, M.A.; Pflaum, J.; Tripathi, A.K.; Frey, W.; Steigerwald, M.L.; Siegrist, T. |
Journal of publication | Journal of Physical Chemistry C |
Year of publication | 2007 |
Journal volume | 111 |
Journal issue | 51 |
Pages of publication | 18878 |
a | 7.1709 ± 0.0008 Å |
b | 8.5496 ± 0.0009 Å |
c | 16.7981 ± 0.0018 Å |
α | 90° |
β | 92.416 ± 0.011° |
γ | 90° |
Cell volume | 1028.95 ± 0.19 Å3 |
Cell temperature | 423 K |
Ambient diffraction temperature | 423 K |
Number of distinct elements | 2 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.2571 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for all reflections | 0.1088 |
Weighted residual factors for significantly intense reflections | 0.0598 |
Weighted residual factors for all reflections included in the refinement | 0.1088 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1505100.html
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Users of the data should acknowledge the original authors of the
structural data.