Crystallography Open Database

Information card for entry 4125117

Preview

Coordinates	4125117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H29 F3 N2 O5 S
Calculated formula	C18.9999 H29 F2.9997 N2 O4.9997 S0.9999
Title of publication	Reactions of Persistent Carbenes with Hydrogen-Terminated Silicon Surfaces.
Authors of publication	Zhukhovitskiy, Aleksandr V.; Mavros, Michael G.; Queeney, K. T.; Wu, Tony; Voorhis, Troy Van; Johnson, Jeremiah A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	27
Pages of publication	8639 - 8652
a	12.6127 ± 0.0008 Å
b	15.2311 ± 0.001 Å
c	17.9955 ± 0.0011 Å
α	69.5328 ± 0.0015°
β	88.0275 ± 0.0013°
γ	88.8565 ± 0.0013°
Cell volume	3236.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
187904 (current)	2016-11-06	cif/ Updating files of 4125116, 4125117, 4125118, 4125119 Original log message: Adding full bibliography for 4125116--4125119.cif.	4125117.cif
184130	2016-07-02	cif/ Adding structures of 4125117 via cif-deposit CGI script.	4125117.cif