Crystallography Open Database

Information card for entry 1568759

Preview

Coordinates	1568759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H38 O4 Si
Calculated formula	C25 H38 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	6.3347 ± 0.0003 Å
b	12.3768 ± 0.0005 Å
c	30.9537 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2426.87 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0341
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	1568759.cif
282188	2023-04-02	cif/ Adding structures of 1568754, 1568755, 1568756, 1568757, 1568758, 1568759, 1568760, 1568761, 1568762 via cif-deposit CGI script.	1568759.cif