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Information card for entry 7246641
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Coordinates | 7246641.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 B10 |
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Calculated formula | C18 H20 B10 |
Title of publication | Tuning of the height of energy barrier between locally-excited and charge transfer states by altering the fusing position of <i>o</i>-carborane in phenylnaphthalene. |
Authors of publication | Ochi, Junki; Yanagihara, Takumi; Tanaka, Kazuo; Chujo, Yoshiki |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 16 |
Pages of publication | 11839 - 11844 |
a | 10.943 ± 0.003 Å |
b | 11.516 ± 0.003 Å |
c | 14.661 ± 0.004 Å |
α | 90° |
β | 90.013 ± 0.005° |
γ | 90° |
Cell volume | 1847.6 ± 0.9 Å3 |
Cell temperature | 143 K |
Ambient diffraction temperature | 143 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0835 |
Residual factor for significantly intense reflections | 0.0646 |
Weighted residual factors for significantly intense reflections | 0.1318 |
Weighted residual factors for all reflections included in the refinement | 0.1435 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71075 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/7246641.html
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Users of the data should acknowledge the original authors of the
structural data.