Crystallography Open Database

Information card for entry 7126457

Preview

Coordinates	7126457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 F3 N O2 S
Calculated formula	C15 H14 F3 N O2 S
Title of publication	Three component hydroxyletherification and hydroxylazidation of (trifluoromethyl)alkenes: access to α-trifluoromethyl β-heteroatom substituted tertiary alcohols.
Authors of publication	Zeng, Hao; Zhu, Chuanle; Liu, Chi; Cai, Yingying; Chen, Fulin; Jiang, Huanfeng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	46
Pages of publication	6241 - 6244
a	25.516 ± 0.003 Å
b	5.6738 ± 0.0005 Å
c	21.937 ± 0.002 Å
α	90°
β	110.176 ± 0.006°
γ	90°
Cell volume	2981 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1356
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
253796 (current)	2020-07-06	cif/ Updating files of 7126457 Original log message: Adding full bibliography for 7126457.cif.	7126457.cif
251293	2020-04-30	cif/ Adding structures of 7126457 via cif-deposit CGI script.	7126457.cif