Crystallography Open Database

Information card for entry 7062993

Preview

Coordinates	7062993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H35 N2 O10
Calculated formula	C34 H35 N2 O10
SMILES	O(C1=C(Oc2c(c(OC)cc(OC)c2)C1=O)c1cc(OC)c(OC)c(OC)c1)CCCCOc1ccc(=O)n(n1)c1ccccc1
Title of publication	Design, synthesis, and antiviral activities of myricetin derivatives containing pyridazinone
Authors of publication	Xing, Li; An, Youshan; Qin, Yishan; Xin, Hui; Deng, Tianyu; Meng, Kaini; Liu, Da; Xue, Wei
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	1
Pages of publication	117 - 130
a	13.78 ± 0.002 Å
b	13.421 ± 0.002 Å
c	17.928 ± 0.003 Å
α	90°
β	112.6°
γ	90°
Cell volume	3061 ± 0.8 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 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	0.2199
Residual factor for significantly intense reflections	0.1421
Weighted residual factors for significantly intense reflections	0.3449
Weighted residual factors for all reflections included in the refinement	0.402
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289308 (current)	2024-02-04	cif/ Adding structures of 7062993 via cif-deposit CGI script.	7062993.cif