Crystallography Open Database

Information card for entry 4123307

Preview

Coordinates	4123307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 N3 O3
Calculated formula	C27 H27 N3 O3
Title of publication	Dynamic Behavior of Molecular Switches in Crystal under Pressure and Its Reflection on Tactile Sensing.
Authors of publication	Wang, Yi; Tan, Xiao; Zhang, Yu-Mo; Zhu, Shaoyin; Zhang, Ivan; Yu, Binhong; Wang, Kai; Yang, Bing; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	2
Pages of publication	931 - 939
a	24.174 ± 0.011 Å
b	10.013 ± 0.005 Å
c	19.969 ± 0.009 Å
α	90°
β	100.132 ± 0.019°
γ	90°
Cell volume	4758 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0805
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.1875
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179035 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/33.	4123307.cif
130642	2015-02-04	cif/ Updating files of 4123306, 4123307, 4123308 Original log message: Adding full bibliography for 4123306--4123308.cif.	4123307.cif
129882	2015-01-17	cif/ Adding structures of 4123307 via cif-deposit CGI script.	4123307.cif