Crystallography Open Database

Information card for entry 1568757

Preview

Coordinates	1568757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 O4 Si
Calculated formula	C24 H30 O4 Si
Title of publication	Total synthesis of (-)-scabrolide A and (-)-yonarolide.
Authors of publication	Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	18
Pages of publication	4745 - 4758
a	6.7649 ± 0.0005 Å
b	10.9273 ± 0.0009 Å
c	14.4629 ± 0.0014 Å
α	90°
β	103.394 ± 0.005°
γ	90°
Cell volume	1040.05 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0893
Residual factor for significantly intense reflections	0.088
Weighted residual factors for significantly intense reflections	0.2288
Weighted residual factors for all reflections included in the refinement	0.2312
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
284236 (current)	2023-06-05	cif/ Updating files of 1568754, 1568755, 1568756, 1568757, 1568758, 1568759, 1568760, 1568761, 1568762 Original log message: Adding full bibliography for 1568754--1568762.cif.	1568757.cif
282188	2023-04-02	cif/ Adding structures of 1568754, 1568755, 1568756, 1568757, 1568758, 1568759, 1568760, 1568761, 1568762 via cif-deposit CGI script.	1568757.cif