Crystallography Open Database

Information card for entry 1542577

Preview

Coordinates	1542577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 O4
Calculated formula	C14 H16 O4
SMILES	O=C1O[C@H]2C[C@]3(O[C@]2(C1)CC1=C(C(=O)C[C@@H]31)C)C
Title of publication	Catalytic Asymmetric Total Synthesis of Hedyosumins A, B, and C.
Authors of publication	Sun, Wang-Bin; Wang, Xuan; Sun, Bing-Feng; Zou, Jian-Ping; Lin, Guo-Qiang
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	6
Pages of publication	1219 - 1221
a	5.5435 ± 0.0006 Å
b	7.7426 ± 0.0009 Å
c	27.879 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1196.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
181460 (current)	2016-04-04	cif/ Updating files of 1542576, 1542577 Original log message: Adding full bibliography for 1542576--1542577.cif.	1542577.cif
177067	2016-03-01	cif/ Adding structures of 1542577 via cif-deposit CGI script.	1542577.cif