Crystallography Open Database

Information card for entry 4125296

Preview

Coordinates	4125296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 O4
Calculated formula	C32 H38 O4
SMILES	O1C2=C(C(=O)[C@]3(C(=O)[C@@]2(C[C@@H](C3(C)C)CC=C)C[C@H](C1(C)C)CC=C)CC=C)C(=O)c1ccccc1.O1C2=C(C(=O)[C@@]3(C(=O)[C@]2(C[C@H](C3(C)C)CC=C)C[C@@H](C1(C)C)CC=C)CC=C)C(=O)c1ccccc1
Title of publication	Syntheses of (+)-30-epi-, (-)-6-epi-, (±)-6,30-epi-13,14-Didehydroxyisogarcinol and (±)-6,30-epi-Garcimultiflorone A Utilizing Highly Diastereoselective, Lewis Acid-Controlled Cyclizations.
Authors of publication	Boyce, Jonathan H.; Eschenbrenner-Lux, Vincent; Porco, Jr, John A
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	44
Pages of publication	14789 - 14797
a	23.1187 ± 0.0004 Å
b	7.8379 ± 0.0002 Å
c	15.2175 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2757.44 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
189944 (current)	2017-01-06	cif/ Updating files of 4125295, 4125296, 4125297 Original log message: Adding full bibliography for 4125295--4125297.cif.	4125296.cif
187635	2016-10-28	cif/ Adding structures of 4125296 via cif-deposit CGI script.	4125296.cif