Crystallography Open Database

Information card for entry 1570999

Preview

Coordinates	1570999.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-1-(2,6-di(pyrrolidin-1-yl)phenyl)-N-(1-methyl-1H-pyrazol-4-yl)methanimine
Formula	C19 H25 N5
Calculated formula	C19 H25 N5
Title of publication	Photoswitchable imines: aryliminopyrazoles quantitatively convert to long-lived <i>Z</i>-isomers with visible light.
Authors of publication	Wu, Jiarong; Kreimendahl, Lasse; Tao, Suyuan; Anhalt, Olga; Greenfield, Jake L.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	11
Pages of publication	3872 - 3878
a	31.026 ± 0.004 Å
b	6.7327 ± 0.0004 Å
c	19.7204 ± 0.0019 Å
α	90°
β	124.143 ± 0.007°
γ	90°
Cell volume	3409.4 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.0487
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290855 (current)	2024-04-05	cif/ Updating files of 1570999 Original log message: Adding full bibliography for 1570999.cif.	1570999.cif
289819	2024-02-15	cif/ Adding structures of 1570999 via cif-deposit CGI script.	1570999.cif