Crystallography Open Database

Information card for entry 7157636

Preview

Coordinates	7157636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H28 O4
Calculated formula	C17 H28 O4
Title of publication	Highly stereocontrolled total synthesis of secodolastane diterpenoid isolinearol.
Authors of publication	Kobayashi, Toyoharu; Tomita, Yui; Kawamoto, Yuichiro; Ito, Hisanaka
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	37
Pages of publication	7316 - 7320
a	15.2304 ± 0.0014 Å
b	9.1246 ± 0.0008 Å
c	22.238 ± 0.002 Å
α	90°
β	95.627 ± 0.001°
γ	90°
Cell volume	3075.6 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0596
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
258944 (current)	2020-11-06	cif/ Updating files of 7157636, 7157637 Original log message: Adding full bibliography for 7157636--7157637.cif.	7157636.cif
254702	2020-07-31	cif/ Adding structures of 7157636, 7157637 via cif-deposit CGI script.	7157636.cif