Crystallography Open Database

Information card for entry 7243877

Preview

Coordinates	7243877.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Skullcapflavone I
Formula	C17 H14 O6
Calculated formula	C17 H14 O6
SMILES	O1C(=CC(=O)c2c(O)cc(OC)c(OC)c12)c1ccccc1O
Title of publication	A comparative assessment of in vitro cytotoxic activity and phytochemical profiling of Andrographis nallamalayana J.L.Ellis and Andrographis paniculata (Burm. f.) Nees using UPLC-QTOF-MS/MS approach
Authors of publication	Goel, Narender; Gajbhiye, Rahul L.; Saha, Moumita; Nagendra, Chennuru; Reddy, Araveeti Madhusudhana; Ravichandiran, V.; Das Saha, Krishna; Jaisankar, Parasuraman
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	57
Pages of publication	35918 - 35936
a	4.921 ± 0.0011 Å
b	21.735 ± 0.004 Å
c	13.1847 ± 0.0011 Å
α	90°
β	96.263 ± 0.011°
γ	90°
Cell volume	1401.8 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
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	0.046
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
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
270539 (current)	2021-11-09	cif/ Adding structures of 7243875, 7243876, 7243877 via cif-deposit CGI script.	7243877.cif