Crystallography Open Database

Information card for entry 1571669

Preview

Coordinates	1571669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 N O3 S
Calculated formula	C23 H23 N O3 S
Title of publication	Palladium-catalyzed asymmetric [4 + 3] cycloaddition of methylene-trimethylenemethane: access to seven-membered exocyclic axially chiral allenes.
Authors of publication	Wu, Yafei; Wang, Zhuo; Shan, Yuqian; Ma, Yukun; Li, Teng; Yuan, Chunhao; Guo, Hongchao; Mao, Biming
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	25
Pages of publication	9703 - 9708
a	10.9922 ± 0.0002 Å
b	11.1557 ± 0.0002 Å
c	16.1415 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1979.36 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0589
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1571669.html