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Information card for entry 7220850
Preview
Coordinates | 7220850.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H18 N2 |
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Calculated formula | C22 H18 N2 |
SMILES | C(=C(\c1ccccc1)c1ccc[nH]1)(\c1ccccc1)c1ccc[nH]1 |
Title of publication | Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission. |
Authors of publication | Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M. |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 29 |
Pages of publication | 19465 - 19473 |
a | 8.44 ± 0.002 Å |
b | 9.676 ± 0.002 Å |
c | 10.316 ± 0.003 Å |
α | 75.506 ± 0.009° |
β | 87.977 ± 0.011° |
γ | 79.212 ± 0.009° |
Cell volume | 801.2 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.089 |
Residual factor for significantly intense reflections | 0.0876 |
Weighted residual factors for significantly intense reflections | 0.231 |
Weighted residual factors for all reflections included in the refinement | 0.2317 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7220850.html
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Users of the data should acknowledge the original authors of the
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