Crystallography Open Database

Information card for entry 7158156

Preview

Coordinates	7158156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Cl N O
Calculated formula	C26 H22 Cl N O
SMILES	Clc1ccc([C@H]2Nc3c(C[C@H]2[C@@H](O)c2ccc4c(c2)cccc4)cccc3)cc1.Clc1ccc([C@@H]2Nc3c(C[C@@H]2[C@H](O)c2ccc4c(c2)cccc4)cccc3)cc1
Title of publication	Hydrosilylation and Mukaiyama aldol-type reaction of quinolines and hydrosilylation of imines catalyzed by a mesoionic carbene-stabilized borenium ion.
Authors of publication	Clarke, Joshua J.; Devaraj, Karthik; Bestvater, Brian P.; Kojima, Ryoto; Eisenberger, Patrick; DeJesus, Joseph F.; Crudden, Cathleen M.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	31
Pages of publication	6786 - 6791
a	7.5536 ± 0.0003 Å
b	15.5289 ± 0.0006 Å
c	19.9941 ± 0.0007 Å
α	90°
β	98.847 ± 0.001°
γ	90°
Cell volume	2317.39 ± 0.15 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
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	0.0532
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268957 (current)	2021-09-06	cif/ Updating files of 7158156 Original log message: Adding full bibliography for 7158156.cif.	7158156.cif
266932	2021-07-03	cif/ Adding structures of 7158156 via cif-deposit CGI script.	7158156.cif