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Information card for entry 4087220
Preview
Coordinates | 4087220.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H68 B20 |
---|---|
Calculated formula | C42 H68 B20 |
SMILES | [BH]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]3%12%10[BH]%1091[BH]158[C]587([BH]23([C]46%115c2ccc(c3ccc([C]4567[BH]9%11%13[BH]%14%154[BH]4%169[BH]9%17%11[BH]%115%13[BH]5%13%17[BH]%17%169[BH]9%144[C]47%15([BH]6%115[BH]%13%1794)c4ccc(cc4)CCCC)cc3)cc2)[BH]%12%1018)c1ccc(cc1)CCCC.CCCCCC |
Title of publication | Biphenyl- and Fluorene-Based o-Carboranyl Compounds: Alteration of Photophysical Properties by Distortion of Biphenyl Rings |
Authors of publication | Shin, Nara; Yu, Seokhyeon; Lee, Ji Hye; Hwang, Hyonseok; Lee, Kang Mun |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 8 |
Pages of publication | 1522 |
a | 10.0759 ± 0.0017 Å |
b | 7.916 ± 0.0014 Å |
c | 31.471 ± 0.006 Å |
α | 90° |
β | 98.61 ± 0.013° |
γ | 90° |
Cell volume | 2481.9 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.1156 |
Residual factor for significantly intense reflections | 0.0711 |
Weighted residual factors for significantly intense reflections | 0.1938 |
Weighted residual factors for all reflections included in the refinement | 0.2387 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4087220.html
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Users of the data should acknowledge the original authors of the
structural data.