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Information card for entry 4037604
Preview
Coordinates | 4037604.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H50 |
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Calculated formula | C60 H50 |
SMILES | c1(cc(c2c3c4c(c(cc(c4cc2)C#Cc2ccc(cc2)CCC)C#Cc2ccc(cc2)CCC)ccc13)C#Cc1ccc(cc1)CCC)C#Cc1ccc(cc1)CCC |
Title of publication | Enhanced electrogenerated chemiluminescence of phenylethynylpyrene derivatives: use of weakly electron-donating group as a substituent. |
Authors of publication | Lee, Yeon Ok; Pradhan, Tuhin; Yoo, Sangwook; Kim, Tae Hyun; Kim, Joohoon; Kim, Jong Seung |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Journal issue | 24 |
Pages of publication | 11007 - 11013 |
a | 14.743 ± 0.003 Å |
b | 15.881 ± 0.003 Å |
c | 9.4082 ± 0.0018 Å |
α | 90° |
β | 102.849 ± 0.004° |
γ | 90° |
Cell volume | 2147.6 ± 0.7 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 2 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1782 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1043 |
Weighted residual factors for all reflections included in the refinement | 0.1238 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.89 |
Diffraction radiation wavelength | 0.71073 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/4037604.html
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