Crystallography Open Database

Information card for entry 1517934

Preview

Coordinates	1517934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 O7
Calculated formula	C29 H32 O7
SMILES	c1cc(ccc1CO[C@H]1[C@H]2[C@@H]([C@H](O[C@@H]1CO2)OCc1ccccc1)OCc1ccc(cc1)OC)OC
Title of publication	Construction of 3,6-Anhydrohexosides via Intramolecular Cyclization of Triflates and Its Application to the Synthesis of Natural Product Isolated from Leaves of Sauropus rostratus.
Authors of publication	Liu, Long; Wang, Cheng-Qian; Liu, Dan; He, Wei-Gang; Xu, Jin-Yi; Lin, Ai-Jun; Yao, He-Quan; Tanabe, Genzoh; Muraoka, Osamu; Xie, Wei-Jia; Wu, Xiao-Ming
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	19
Pages of publication	5004 - 5007
a	10.383 ± 0.0011 Å
b	10.0793 ± 0.0011 Å
c	12.2195 ± 0.0013 Å
α	90°
β	93.307 ± 0.008°
γ	90°
Cell volume	1276.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
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.	1517934.cif
124615	2014-10-06	cif/ Adding structures of 1517934 via cif-deposit CGI script.	1517934.cif