Crystallography Open Database

Information card for entry 7121170

Preview

Coordinates	7121170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H35 N Si
Calculated formula	C33 H35 N Si
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	9.0089 ± 0.0006 Å
b	13.9567 ± 0.0006 Å
c	22.3783 ± 0.001 Å
α	98.702 ± 0.004°
β	99.193 ± 0.004°
γ	99.7 ± 0.004°
Cell volume	2691.6 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	7121170.cif
205473	2018-01-23	cif/ Adding structures of 7121170, 7121171 via cif-deposit CGI script.	7121170.cif