Crystallography Open Database

Information card for entry 1556574

Preview

Coordinates	1556574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 N O6 S
Calculated formula	C24 H25 N O6 S
SMILES	n1c(sc2c1c(c(OC)c(O)c2c1ccc(OC)cc1)c1ccc(OC)cc1)CO.OC
Title of publication	Cytotoxic <i>p</i>-Terphenyls from a Marine-Derived <i>Nocardiopsis</i> Species.
Authors of publication	Wang, Dongyang; Wang, Yi; Ouyang, Yinfeng; Fu, Peng; Zhu, Weiming
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	12
Pages of publication	3504 - 3508
a	10.5708 ± 0.0009 Å
b	10.6193 ± 0.0008 Å
c	11.9805 ± 0.0011 Å
α	86.943 ± 0.002°
β	79.883 ± 0.002°
γ	60.207 ± 0.001°
Cell volume	1148.05 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246573 (current)	2020-01-04	cif/ Updating files of 1556574 Original log message: Adding full bibliography for 1556574.cif.	1556574.cif
245134	2019-12-14	cif/ Adding structures of 1556574 via cif-deposit CGI script.	1556574.cif