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Information card for entry 1502761
Preview
Coordinates | 1502761.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H61 N3 |
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Calculated formula | C61 H61 N3 |
SMILES | c1(c(cc(cc1Cc1c(cccc1c1c(cccc1C)C)c1c(cccc1C)C)C(C)(C)C)Cc1c(cccc1c1c(cccc1C)C)c1c(cccc1C)C)N=Nc1ccncc1 |
Title of publication | Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. |
Authors of publication | Suwa, Kazuya; Otsuki, Joe; Goto, Kei |
Journal of publication | The journal of physical chemistry. A |
Year of publication | 2010 |
Journal volume | 114 |
Journal issue | 2 |
Pages of publication | 884 - 890 |
a | 11.4828 ± 0.0014 Å |
b | 12.8037 ± 0.0016 Å |
c | 17.557 ± 0.002 Å |
α | 103.938 ± 0.0017° |
β | 103.837 ± 0.0008° |
γ | 98.1698 ± 0.0014° |
Cell volume | 2377.3 ± 0.5 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0627 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.1261 |
Weighted residual factors for all reflections included in the refinement | 0.1353 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.923 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1502761.html
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