Crystallography Open Database

Information card for entry 7131335

Preview

Coordinates	7131335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H29 N O5
Calculated formula	C28 H29 N O5
Title of publication	Reactivity of vinylidene-π-allyl palladium(II) species.
Authors of publication	Li, Can; Zhou, Zhengnan; Li, Yuling; Guo, Yinlong; Ma, Shengming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	25
Pages of publication	3727 - 3730
a	11.0454 ± 0.0012 Å
b	13.4133 ± 0.0013 Å
c	18.2237 ± 0.0016 Å
α	77.351 ± 0.003°
β	81.676 ± 0.003°
γ	75.621 ± 0.003°
Cell volume	2540.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1253
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1916
Weighted residual factors for all reflections included in the refinement	0.2346
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283051 (current)	2023-05-05	cif/ Updating files of 7131335 Original log message: Adding full bibliography for 7131335.cif.	7131335.cif
281133	2023-02-25	cif/ Adding structures of 7131335 via cif-deposit CGI script.	7131335.cif