Crystallography Open Database

Information card for entry 1503927

Preview

Coordinates	1503927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 O7
Calculated formula	C16 H20 O7
Title of publication	anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes.
Authors of publication	Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2317 - 2320
a	11.269 ± 0.003 Å
b	5.309 ± 0.0016 Å
c	12.835 ± 0.004 Å
α	90°
β	90.832 ± 0.005°
γ	90°
Cell volume	767.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1408
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1503927.cif
171658	2015-12-21	cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with empty values from multiple entries in ranges 1, 4, 7.	1503927.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503927.cif
39198	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503927, 1503928, 1503929 via cif-deposit CGI script.	1503927.cif