Crystallography Open Database

Information card for entry 1506167

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Structure parameters

Formula	C17 H20 O6
Calculated formula	C17 H20 O6
SMILES	O1[C@]23[C@]4(CCC52OCCO5)C=C2[C@@](OC4=O)([C@@H]1CC3)[C@@H](O)CC2
Title of publication	Diastereoselective [4 + 4]-photocycloaddition reactions of pyran-2-ones: rapid access to functionalized 5-8-5 skeletons.
Authors of publication	Song, Dong; McDonald, Robert; West, F. G.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	18
Pages of publication	4075 - 4078
a	6.0006 ± 0.0008 Å
b	8.0097 ± 0.0011 Å
c	14.4792 ± 0.0019 Å
α	90°
β	90.68 ± 0.002°
γ	90°
Cell volume	695.86 ± 0.16 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0444
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506167.cif
176729	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.	1506167.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506167.cif
48053	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506166, 1506167 via cif-deposit CGI script.	1506167.cif