Crystallography Open Database

Information card for entry 1565519

Preview

Coordinates	1565519.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	AT2911_A_LT
Formula	C19 H20 O6
Calculated formula	C19 H20 O6
SMILES	O1[C@@H]2[C@@H]3[C@@]4(O)[C@@]1(C(=O)c1c(cccc1O)[C@@H]4O)CC[C@]3(O)CC(=C2)C
Title of publication	Antimicrobial and Cytotoxic Angucyclic Quinones from <i>Actinomadura miaoliensis</i>.
Authors of publication	Saepua, Siriporn; Kornsakulkarn, Jittra; Choowong, Wilunda; Suriyachadkun, Chanwit; Boonlarppradab, Chollaratt; Thongpanchang, Chawanee
Journal of publication	Journal of natural products
Year of publication	2021
Journal volume	84
Journal issue	11
Pages of publication	2775 - 2785
a	6.8062 ± 0.0006 Å
b	11.6371 ± 0.001 Å
c	19.7825 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1566.9 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0254
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0648
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271097 (current)	2021-12-04	cif/ Adding structures of 1565519 via cif-deposit CGI script.	1565519.cif