Crystallography Open Database

Information card for entry 7121171

Preview

Coordinates	7121171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H55 N Si2
Calculated formula	C40 H55 N Si2
SMILES	[Si](C#Cc1c(c(cc(c2ccccc2)c1)C#C[Si](C(C)C)(C(C)C)C(C)C)c1c(cccc1)N)(C(C)C)(C(C)C)C(C)C
Title of publication	Palladium-catalyzed primary amine-directed regioselective mono- and di-alkynylation of biaryl-2-amines.
Authors of publication	Jiang, Guangbin; Hu, Weigao; Li, Jianxiao; Zhu, Chuanle; Wu, Wanqing; Jiang, Huanfeng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	14
Pages of publication	1746 - 1749
a	15.373 ± 0.0008 Å
b	7.7388 ± 0.0004 Å
c	32.2857 ± 0.0016 Å
α	90°
β	101.174 ± 0.005°
γ	90°
Cell volume	3768.2 ± 0.3 Å³
Cell temperature	105 ± 8 K
Ambient diffraction temperature	105 ± 8 K
Number of distinct elements	4
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	0.12
Residual factor for significantly intense reflections	0.0955
Weighted residual factors for significantly intense reflections	0.2496
Weighted residual factors for all reflections included in the refinement	0.273
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation probe	x-ray
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
228393 (current)	2019-11-17	cif/ Updating files of 7121170, 7121171 Original log message: Adding full bibliography for 7121170--7121171.cif.	7121171.cif
205473	2018-01-23	cif/ Adding structures of 7121170, 7121171 via cif-deposit CGI script.	7121171.cif