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Information card for entry 7117444
Preview
Coordinates | 7117444.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H37 Cl N2 O5 Si |
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Calculated formula | C39 H37 Cl N2 O5 Si |
SMILES | [Cl-].[Si]1(c2cc(N(C)C)ccc2C(=c2ccc(=[N+](C)C)cc12)c1ccc(cc1)c1c2ccccc2cc2ccccc12)(C)C.O.O.O.O.O |
Title of publication | The unprecedented J-aggregate formation of rhodamine moieties induced by 9-phenylanthracenyl substitution. |
Authors of publication | Kim, Sooyeon; Fujitsuka, Mamoru; Tohnai, Norimitsu; Tachikawa, Takashi; Hisaki, Ichiro; Miyata, Mikiji; Majima, Tetsuro |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 58 |
Pages of publication | 11580 - 11583 |
a | 9.8459 ± 0.0005 Å |
b | 10.5371 ± 0.001 Å |
c | 19.8151 ± 0.0017 Å |
α | 94.748 ± 0.005° |
β | 98.528 ± 0.005° |
γ | 110.714 ± 0.005° |
Cell volume | 1881.2 ± 0.3 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1156 |
Residual factor for significantly intense reflections | 0.0958 |
Weighted residual factors for significantly intense reflections | 0.3126 |
Weighted residual factors for all reflections included in the refinement | 0.3422 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.446 |
Diffraction radiation wavelength | 0.8 Å |
Diffraction radiation type | synchrotron |
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/7117444.html
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