Crystallography Open Database

Information card for entry 1568756

Preview

Coordinates	1568756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.19 H20.19 Cl1.59 O5.5
Calculated formula	C16.1895 H20.1894 Cl1.5685 O5.5
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	34.102 ± 0.005 Å
b	14.485 ± 0.002 Å
c	6.6087 ± 0.0011 Å
α	90°
β	94.96 ± 0.01°
γ	90°
Cell volume	3252.3 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.2207
Weighted residual factors for all reflections included in the refinement	0.2291
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1568756.cif
282188	2023-04-02	cif/ Adding structures of 1568754, 1568755, 1568756, 1568757, 1568758, 1568759, 1568760, 1568761, 1568762 via cif-deposit CGI script.	1568756.cif