Crystallography Open Database

Information card for entry 1507118

Preview

Coordinates	1507118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 O5
Calculated formula	C19 H19 O6
SMILES	O.C=CC[C@@H]1OC(=O)c2c(OC)cccc2C[C@@H]2O[C@@H](C1)CC(=O)C2.O.C=CC[C@H]1OC(=O)c2c(OC)cccc2C[C@H]2O[C@H](C1)CC(=O)C2
Title of publication	Formal total synthesis of (-)-apicularen A via transannular conjugate addition.
Authors of publication	Hilli, Ferdows; White, Jonathan M.; Rizzacasa, Mark A.
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	8
Pages of publication	1289 - 1292
a	22.939 ± 0.003 Å
b	7.421 ± 0.0008 Å
c	23.556 ± 0.003 Å
α	90°
β	116.912 ± 0.002°
γ	90°
Cell volume	3575.7 ± 0.8 Å³
Cell temperature	130 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1759
Residual factor for significantly intense reflections	0.1061
Weighted residual factors for significantly intense reflections	0.3016
Weighted residual factors for all reflections included in the refinement	0.346
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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.	1507118.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507118.cif
51689	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507118 via cif-deposit CGI script.	1507118.cif