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Information card for entry 7233395
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Coordinates | 7233395.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 I N O2 |
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Calculated formula | C24 H24 I N O2 |
Title of publication | Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity |
Authors of publication | Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 37 |
Pages of publication | 5626 |
a | 8.77916 ± 0.00011 Å |
b | 19.3848 ± 0.0002 Å |
c | 11.98474 ± 0.00015 Å |
α | 90° |
β | 89.748 ± 0.0011° |
γ | 90° |
Cell volume | 2039.57 ± 0.04 Å3 |
Cell temperature | 172.97 ± 0.1 K |
Ambient diffraction temperature | 172.97 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0307 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7233395.html
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Users of the data should acknowledge the original authors of the
structural data.