Crystallography Open Database

Information card for entry 7062485

Preview

Coordinates	7062485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H35 N3 O2
Calculated formula	C33 H35 N3 O2
SMILES	O(c1c(OC)cc(cc1)CCc1nn(c2nc3c(cc2)cccc3)c(CCCCC)c1)Cc1ccccc1
Title of publication	6-Gingerol-derived semisynthetic analogs mitigate oxidative stress, and reverse acrylamide induced neurotoxicity in zebrafish
Authors of publication	Manjunathan, Tamilvelan; Guru, Ajay; Haridevamuthu, B.; Dandela, Rambabu; Arokiaraj, Jesu; Gopinath, Pushparathinam
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	22
Pages of publication	10488 - 10492
a	5.65 ± 0.003 Å
b	12.577 ± 0.006 Å
c	20.32 ± 0.01 Å
α	87.21 ± 0.01°
β	83.78 ± 0.01°
γ	89.06 ± 0.01°
Cell volume	1433.6 ± 1.2 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2169
Residual factor for significantly intense reflections	0.0929
Weighted residual factors for significantly intense reflections	0.2202
Weighted residual factors for all reflections included in the refinement	0.2753
Goodness-of-fit parameter for all reflections included in the refinement	1.178
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
284934 (current)	2023-07-05	cif/ Updating files of 7062485 Original log message: Adding full bibliography for 7062485.cif.	7062485.cif
283844	2023-05-18	cif/ Adding structures of 7062485 via cif-deposit CGI script.	7062485.cif