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Information card for entry 1516597
Preview
Coordinates | 1516597.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H25 Br N2 O3 S |
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Calculated formula | C30 H25 Br N2 O3 S |
SMILES | Brc1cc2c(n(C)cc2C(c2ccccc2)C(=O)N(S(=O)(=O)c2ccc(cc2)C)c2ccccc2)cc1 |
Title of publication | Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines |
Authors of publication | Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 10 |
Pages of publication | 4057 |
a | 10.8564 ± 0.0004 Å |
b | 14.3921 ± 0.0004 Å |
c | 18.5751 ± 0.0006 Å |
α | 77.707 ± 0.003° |
β | 84.454 ± 0.003° |
γ | 69.815 ± 0.003° |
Cell volume | 2660.74 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0643 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1204 |
Weighted residual factors for all reflections included in the refinement | 0.13 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/1516597.html
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