Crystallography Open Database

Information card for entry 1565520

Preview

Coordinates	1565520.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	AT2911_B6
Formula	C19 H20 O5
Calculated formula	C19 H20 O5
SMILES	Oc1c2C(=O)[C@H]3CC[C@]4(O)CC(=CC(=O)[C@@H]4[C@@H]3[C@@H](O)c2ccc1)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	7.9241 ± 0.0006 Å
b	9.6917 ± 0.0006 Å
c	20.1875 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1550.36 ± 0.19 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	0.0346
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
271098 (current)	2021-12-04	cif/ Adding structures of 1565520 via cif-deposit CGI script.	1565520.cif