Crystallography Open Database

Information card for entry 1518467

Preview

Coordinates	1518467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 O4
Calculated formula	C18 H26 O4
SMILES	O[C@@H]1c2c(OC)ccc(OC)c2CC(=CCC[C@H](CO)C1)C.O[C@H]1c2c(OC)ccc(OC)c2CC(=CCC[C@@H](CO)C1)C
Title of publication	Total synthesis of clavilactone B: a radical cyclization-fragmentation strategy.
Authors of publication	Suizu, Hiroshi; Shigeoka, Daisuke; Aoyama, Hiroshi; Yoshimitsu, Takehiko
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	1
Pages of publication	126 - 129
a	7.1391 ± 0.0015 Å
b	7.5445 ± 0.0014 Å
c	15.455 ± 0.004 Å
α	88.709 ± 0.007°
β	83.268 ± 0.005°
γ	76.661 ± 0.006°
Cell volume	804.4 ± 0.3 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	0.687
Diffraction radiation probe	x-ray
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
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.	1518467.cif
130827	2015-02-04	cif/ Updating files of 1518467, 1518468 Original log message: Adding full bibliography for 1518467--1518468.cif.	1518467.cif
128992	2014-12-21	cif/ Adding structures of 1518467 via cif-deposit CGI script.	1518467.cif