Crystallography Open Database

Information card for entry 1506180

Preview

Coordinates	1506180.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	06167a
Formula	C18 H16 O4
Calculated formula	C18 H16 O4
SMILES	O=C1c2occ3CC[C@@H](OC(=O)C)[C@@](c23)(c2c1cccc2)C.O=C1c2occ3CC[C@H](OC(=O)C)[C@](c23)(c2c1cccc2)C
Title of publication	Studies on the synthesis of furanosteroids. I. Viridin models.
Authors of publication	Sessions, E. Hampton; Jacobi, Peter A.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	18
Pages of publication	4125 - 4128
a	7.2601 ± 0.0008 Å
b	17.0441 ± 0.0019 Å
c	11.6153 ± 0.0013 Å
α	90°
β	105.116 ± 0.002°
γ	90°
Cell volume	1387.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
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.	1506180.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506180.cif
48066	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506180 via cif-deposit CGI script.	1506180.cif