Crystallography Open Database

Information card for entry 1548634

Preview

Coordinates	1548634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27 N O S
Calculated formula	C19 H27 N O S
SMILES	S([C@H]1CCC=CCC[C@@H]1N1CCOCC1)c1ccc(cc1)C.S([C@@H]1CCC=CCC[C@H]1N1CCOCC1)c1ccc(cc1)C
Title of publication	Unsymmetrical difunctionalization of cyclooctadiene under continuous flow conditions: expanding the scope of ring opening metathesis polymerization.
Authors of publication	Shen, Xianwang; Gong, Honghong; Zhou, Yang; Zhao, Yucheng; Lin, Jun; Chen, Mao
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	7
Pages of publication	1846 - 1853
a	13.4779 ± 0.0014 Å
b	8.1983 ± 0.0009 Å
c	31.894 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3524.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
228786 (current)	2019-11-17	cif/ Updating files of 1548634 Original log message: Adding full bibliography for 1548634.cif.	1548634.cif
204955	2018-01-09	cif/ Adding structures of 1548634 via cif-deposit CGI script.	1548634.cif