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Information card for entry 7220668
Preview
Coordinates | 7220668.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3,6-Bis(2,2-diphenylethenyl)-9-(2-ethylhexyl)-2,7-dimethoxycarbazole |
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Formula | C50 H49 N O2 |
Calculated formula | C50 H49 N O2 |
SMILES | O(c1cc2n(c3c(c2cc1C=C(c1ccccc1)c1ccccc1)cc(C=C(c1ccccc1)c1ccccc1)c(OC)c3)CC(CC)CCCC)C |
Title of publication | Structure‒property relationship of isomeric diphenylethenyl-disubstituted dimethoxycarbazoles |
Authors of publication | Bucinskas, Audrius; Bagdziunas, Gintautas; Tomkeviciene, Ausra; Volynyuk, Dmytro; Kostiv, Nataliya; Gudeika, Dalius; Jankauskas, Vygintas; Rutkis, Martins; Grazulevicius, Juozas V. |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 61 |
Pages of publication | 49577 |
a | 16.3265 ± 0.0002 Å |
b | 18.2018 ± 0.0002 Å |
c | 26.5776 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7898.11 ± 0.16 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.113 |
Residual factor for significantly intense reflections | 0.072 |
Weighted residual factors for all reflections | 0.163 |
Weighted residual factors for significantly intense reflections | 0.155 |
Weighted residual factors for all reflections included in the refinement | 0.155 |
Goodness-of-fit parameter for all reflections | 1.07 |
Goodness-of-fit parameter for significantly intense reflections | 1.163 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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structural data.