Crystallography Open Database

Information card for entry 7058329

Preview

Coordinates	7058329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 N3 O6
Calculated formula	C16 H17 N3 O6
Title of publication	Charge transfer complexes as colour changing and disappearing‒reappearing colour materials
Authors of publication	Sharada, Durgam; Saha, Arijit; Saha, Binoy K.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	20
Pages of publication	7562
a	10.0581 ± 0.0005 Å
b	10.7355 ± 0.0004 Å
c	15.7163 ± 0.0008 Å
α	90°
β	94.294 ± 0.004°
γ	90°
Cell volume	1692.26 ± 0.14 Å³
Cell temperature	226 ± 0.14 K
Ambient diffraction temperature	226 ± 0.14 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.1855
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7058329.html