Crystallography Open Database

Information card for entry 7152254

Preview

Coordinates	7152254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 O4
Calculated formula	C23 H26 O4
SMILES	O1[C@@H]2[C@@H](C[C@@H]([C@H]1c1ccccc1)C(=O)OCC)C(Oc1c2cccc1)(C)C.O1[C@H]2[C@H](C[C@H]([C@@H]1c1ccccc1)C(=O)OCC)C(Oc1c2cccc1)(C)C
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	8.9913 ± 0.0007 Å
b	19.6654 ± 0.0014 Å
c	11.4452 ± 0.0009 Å
α	90°
β	103.239 ± 0.004°
γ	90°
Cell volume	1969.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0923
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.1973
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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.	7152254.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152254.cif
52209	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7152253, 7152254, 7152255, 7152256 via cif-deposit CGI script.	7152254.cif