Crystallography Open Database

Information card for entry 1533376

Preview

Coordinates	1533376.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	saccharothrixone D
Formula	C25.5 H28 O12.5
Calculated formula	C25.67 H24.83 O12.33
SMILES	O(C1=CC(=O)[C@H](OC)[C@@]2(O)C(=O)c3cc4c(c(O)c3C(=O)[C@@]12O)c(C)c(c(OC)c4)C(=O)OC)C.OC.OC
Title of publication	Saccharothrixones A-D, Tetracenomycin-Type Polyketides from the Marine-Derived Actinomycete Saccharothrix sp. 10-10.
Authors of publication	Gan, Maoluo; Liu, Bin; Tan, Yi; Wang, Qiang; Zhou, Hongxia; He, Hongwei; Ping, Yuhui; Yang, Zhaoyong; Wang, Yiguang; Xiao, Chunling
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	9
Pages of publication	2260 - 2265
a	15.0788 ± 0.0004 Å
b	17.5135 ± 0.0004 Å
c	19.2065 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5072.1 ± 0.2 Å³
Cell temperature	124 ± 2 K
Ambient diffraction temperature	124 ± 2 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	0.0673
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1677
Weighted residual factors for all reflections included in the refinement	0.1713
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
217633 (current)	2019-08-21	cif/1: Fixing Z values and formulae	1533376.cif
159610	2015-10-05	cif/ Adding structures of 1533376 via cif-deposit CGI script.	1533376.cif