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Information card for entry 1543142
Preview
Coordinates | 1543142.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H21 Cl F5 N |
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Calculated formula | C90 H21 Cl F5 N |
SMILES | ClC12C34NC53C3=C1C1(c6ccc(F)cc6)c6c7C3(c3ccc(F)cc3)c3c8C5(c5ccc(F)cc5)c5c9C4(c4ccc(F)cc4)c4c%10C2(c2ccc(F)cc2)c2c1c1c6c6c%11c7c3c3c7c8c5c5c8c9c4c4c9c%10c2c2c1c1c6c6c%11c3c3c7c5c5c8c4c4c9c2c1c1c6c3c5c41 |
Title of publication | Preparation of Azafullerene C59NR5 and Fullerene Derivative C60NAr5 with a Pyridine Moiety on the Cage Skeleton. |
Authors of publication | Lou, Ning; Li, Yanbang; Cui, Chengxing; Liu, Yajun; Gan, Liangbing |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 9 |
Pages of publication | 2236 - 2239 |
a | 13.9563 ± 0.0009 Å |
b | 14.4188 ± 0.001 Å |
c | 15.4405 ± 0.0011 Å |
α | 91.044 ± 0.006° |
β | 108.456 ± 0.006° |
γ | 109.296 ± 0.006° |
Cell volume | 2755.5 ± 0.4 Å3 |
Cell temperature | 180 ± 0.1 K |
Ambient diffraction temperature | 180 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1451 |
Residual factor for significantly intense reflections | 0.0976 |
Weighted residual factors for significantly intense reflections | 0.2564 |
Weighted residual factors for all reflections included in the refinement | 0.2894 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1543142.html
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Users of the data should acknowledge the original authors of the
structural data.