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Information card for entry 7224742
Preview
Coordinates | 7224742.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | PITE1 |
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Chemical name | PITE1 |
Formula | C51 H52 N2 |
Calculated formula | C51 H52 N2 |
SMILES | n12c(c(c3c2cccc3)/C=N/c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c(c(c(c1CCC)CCC)CCC)CCC |
Title of publication | C‒C coupling over Schiff base condensation: a rational design strategy for a strongly fluorescent molecular material |
Authors of publication | Sk, Bahadur; Patra, Abhijit |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 23 |
Pages of publication | 4290 |
a | 9.1338 ± 0.0002 Å |
b | 13.6605 ± 0.0002 Å |
c | 16.0445 ± 0.0003 Å |
α | 90.823 ± 0.001° |
β | 91.397 ± 0.001° |
γ | 101.432 ± 0.001° |
Cell volume | 1961.23 ± 0.06 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 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 | 0.1221 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1193 |
Weighted residual factors for all reflections included in the refinement | 0.148 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/7224742.html
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