Crystallography Open Database

Information card for entry 1549403

Preview

Coordinates	1549403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 N6 O5
Calculated formula	C32 H32 N6 O5
Title of publication	Copper mediated C-H amination with oximes: en route to primary anilines.
Authors of publication	Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	23
Pages of publication	5160 - 5164
a	29.697 ± 0.004 Å
b	33.356 ± 0.005 Å
c	5.4539 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5402.5 ± 1.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
228829 (current)	2019-11-17	cif/ Updating files of 1549403, 1549404 Original log message: Adding full bibliography for 1549403--1549404.cif.	1549403.cif
207759	2018-05-14	cif/ Adding structures of 1549403, 1549404 via cif-deposit CGI script.	1549403.cif