Crystallography Open Database

Information card for entry 1568540

Preview

Coordinates	1568540.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ARW-II-297
Chemical name	ARW-II-297
Formula	C23 H30 O7 Si
Calculated formula	C23 H30 O7 Si
SMILES	[Si](O[C@@H]1CCC(C(=O)OC)(C(=O)OC)[C@H]2[C@]31c1c([C@@H](C3=O)C2)cc(OC)cc1)(C)(C)C.[Si](O[C@H]1CCC(C(=O)OC)(C(=O)OC)[C@@H]2[C@@]31c1c([C@H](C3=O)C2)cc(OC)cc1)(C)(C)C
Title of publication	A convergent fragment coupling strategy to access quaternary stereogenic centers
Authors of publication	Kerkovius, Jeff; Wong, Alice; Mak, Victor; Reisman, Sarah E.
Journal of publication	Chemical Science
Year of publication	2023
a	18.2041 ± 0.0015 Å
b	12.7693 ± 0.0013 Å
c	19.5076 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4534.6 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
281164 (current)	2023-02-28	cif/ Adding structures of 1568540 via cif-deposit CGI script.	1568540.cif