Crystallography Open Database

Information card for entry 8104563

Preview

Coordinates	8104563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 N2 O4
Calculated formula	C20 H24 N2 O4
SMILES	c1(c(ccc(c1)OC)O)/C=N/CCCC/N=C/c1c(ccc(c1)OC)O
Title of publication	Crystal structure of 2,2′-(butane-1,4-diylbis(azanylylidene))bis(methanylylidene))bis(4-methoxyphenol), C20H24N2O4
Authors of publication	Orang-o, Daniel M.; Onani, Martin O.; Tarus, Paul K.; Lutta, Samuel T.; Lalancette, Roger A.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	6
Pages of publication	1191 - 1193
a	11.0474 ± 0.0003 Å
b	6.0853 ± 0.0002 Å
c	13.9881 ± 0.0004 Å
α	90°
β	104.271 ± 0.002°
γ	90°
Cell volume	911.36 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.94 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272883 (current)	2022-02-09	cif/ Adding structures of 8104563 via cif-deposit CGI script.	8104563.cif