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Information card for entry 7212318
Preview
Coordinates | 7212318.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H23 N O3 S |
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Calculated formula | C28 H23 N O3 S |
SMILES | c1(ccc2c3c4c(ccc13)cccc4cc2)S(=O)(=O)[O-].c1c(ccc2ccccc12)[C@@H](C)[NH3+] |
Title of publication | Control of solid-state chiral optical properties of a chiral supramolecular organic fluorophore consisting of 1-pyrenesulfonic acid and chiral amine molecules |
Authors of publication | Imai, Yoshitane; Murata, Katuzo; Nakano, Yoko; Harada, Takunori; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 6 |
Pages of publication | 1688 |
a | 20.575 ± 0.002 Å |
b | 5.5363 ± 0.0005 Å |
c | 18.7917 ± 0.0019 Å |
α | 90° |
β | 91.676 ± 0.002° |
γ | 90° |
Cell volume | 2139.6 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0596 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.1025 |
Weighted residual factors for all reflections included in the refinement | 0.1078 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/7212318.html
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Users of the data should acknowledge the original authors of the
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