Crystallography Open Database

Information card for entry 1568556

Preview

Coordinates	1568556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 O4
Calculated formula	C20 H24 O4
Title of publication	Palladium-catalyzed enantioselective rearrangement of dienyl cyclopropanes.
Authors of publication	Xu, Qi; Lu, Chuan-Jun; Guo, Chang-Qiu; Feng, Jia; Liu, Ren-Rong
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	12
Pages of publication	3346 - 3351
a	7.73185 ± 0.00008 Å
b	5.91229 ± 0.00007 Å
c	19.8978 ± 0.0002 Å
α	90°
β	92.4788 ± 0.001°
γ	90°
Cell volume	908.736 ± 0.017 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282309 (current)	2023-04-04	cif/ Updating files of 1568556 Original log message: Adding full bibliography for 1568556.cif.	1568556.cif
281228	2023-03-02	cif/ Adding structures of 1568556 via cif-deposit CGI script.	1568556.cif