Crystallography Open Database

Information card for entry 1516742

Preview

Coordinates	1516742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 F O8
Calculated formula	C27 H33 F O8
SMILES	c1(c(c2c(c(F)cc(c2cc1)OC)OC)OC)[C@H]1O[C@H]([C@@H](CC1)O[C@H]1O[C@@H]([C@H](C=C1)OC(=O)C)C)C
Title of publication	Iterative benzyne-furan cycloaddition reactions: studies toward the total synthesis of ent-Sch 47554 and ent-Sch 47555.
Authors of publication	Morton, Gillian E.; Barrett, Anthony G. M.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	13
Pages of publication	2859 - 2861
a	38.884 ± 0.007 Å
b	8.6698 ± 0.0017 Å
c	7.8123 ± 0.0014 Å
α	90°
β	92.945 ± 0.015°
γ	90°
Cell volume	2630.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	0.932
Diffraction radiation wavelength	1.54248 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.	1516742.cif
118771	2014-06-30	cif/ Adding structures of 1516742 via cif-deposit CGI script.	1516742.cif