Crystallography Open Database

Information card for entry 1518481

Preview

Coordinates	1518481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 Cl O6
Calculated formula	C12 H13 Cl O6
Title of publication	Erinaceolactones A to C, from the Culture Broth of Hericium erinaceus.
Authors of publication	Wu, Jing; Tokunaga, Taiki; Kondo, Mitsuru; Ishigami, Kota; Tokuyama, Shinji; Suzuki, Tomohiro; Choi, Jae-Hoon; Hirai, Hirofumi; Kawagishi, Hirokazu
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	1
Pages of publication	155 - 158
a	4.6451 ± 0.0003 Å
b	11.3065 ± 0.0008 Å
c	12.3885 ± 0.0007 Å
α	90°
β	94.458 ± 0.002°
γ	90°
Cell volume	648.67 ± 0.07 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518481.cif
130685	2015-02-04	cif/ Updating files of 1518481 Original log message: Adding full bibliography for 1518481.cif.	1518481.cif
129215	2014-12-30	cif/ Adding structures of 1518481 via cif-deposit CGI script.	1518481.cif