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Information card for entry 1557761
Preview
Coordinates | 1557761.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C71 H53 B Cl2 F20 N2 |
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Calculated formula | C71 H53 B Cl2 F20 N2 |
SMILES | ClCCl.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.n1(c([n+](cc1)c1c(cccc1C(C)C)C(C)C)C1C=CC(=C(c2ccccc2)c2ccccc2)C=C1)c1c(cccc1C(C)C)C(C)C |
Title of publication | SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes |
Authors of publication | Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay |
Journal of publication | Chemical Science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 29 |
Pages of publication | 7615 - 7618 |
a | 13.2446 ± 0.0005 Å |
b | 13.7731 ± 0.0005 Å |
c | 20.2266 ± 0.0008 Å |
α | 94.923 ± 0.003° |
β | 102.959 ± 0.003° |
γ | 114.918 ± 0.004° |
Cell volume | 3192.4 ± 0.3 Å3 |
Cell temperature | 140 ± 0.1 K |
Ambient diffraction temperature | 140 ± 0.1 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 | 0.0542 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1097 |
Weighted residual factors for all reflections included in the refinement | 0.1185 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
257282 (current) | 2020-10-06 | cif/ Updating files of 1557761, 1557762, 1557763, 1557764 Original log message: Adding full bibliography for 1557761--1557764.cif. |
1557761.cif |
254937 | 2020-08-06 | cif/ Updating files of 1557761, 1557762, 1557763, 1557764 Original log message: Adding full bibliography for 1557761--1557764.cif. |
1557761.cif |
250577 | 2020-04-10 | cif/ Adding structures of 1557761, 1557762, 1557763, 1557764 via cif-deposit CGI script. |
1557761.cif |
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Users of the data should acknowledge the original authors of the
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