Crystallography Open Database

Information card for entry 1551025

Preview

Coordinates	1551025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H26 O6 S
Calculated formula	C16 H26 O6 S
SMILES	O(C(=O)[C@H](O)CS[C@@H]1C(=O)O[C@@H](CCCCCCC(=O)C1)C)C
Title of publication	Thiocladospolides A-D, 12-Membered Macrolides from the Mangrove-Derived Endophytic Fungus Cladosporium cladosporioides MA-299 and Structure Revision of Pandangolide 3.
Authors of publication	Zhang, Fan-Zhong; Li, Xiao-Ming; Yang, Sui-Qun; Meng, Ling-Hong; Wang, Bin-Gui
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	6
Pages of publication	1535 - 1541
a	5.5742 ± 0.0007 Å
b	10.477 ± 0.0012 Å
c	29.893 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1745.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1211
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223216 (current)	2019-11-04	cif/ Updating files of 1551025 Original log message: Adding full bibliography for 1551025.cif.	1551025.cif
215101	2019-05-13	cif/ Adding structures of 1551025 via cif-deposit CGI script.	1551025.cif