Crystallography Open Database

Information card for entry 7152253

Preview

Coordinates	7152253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 O5
Calculated formula	C20 H26 O5
SMILES	c1(ccc(cc1)[C@@H]1[C@H](C[C@@H]([C@@H](O1)C)C(=O)OCC)C(=C)C)C(=O)OC.c1(ccc(cc1)[C@H]1[C@@H](C[C@H]([C@H](O1)C)C(=O)OCC)C(=C)C)C(=O)OC
Title of publication	Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.
Authors of publication	Saha, Pipas; Bhunia, Anup; Saikia, Anil K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	12
Pages of publication	2470 - 2481
a	19.837 ± 0.001 Å
b	15.2026 ± 0.0008 Å
c	6.3744 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1922.35 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1644
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
180308 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/22.	7152253.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152253.cif
52209	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7152253, 7152254, 7152255, 7152256 via cif-deposit CGI script.	7152253.cif