Crystallography Open Database

Information card for entry 1568220

Preview

Coordinates	1568220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H N O Pd
Calculated formula	C3.26531 H3.10204 N0.489796 O0.163265 Pd0.163265
Title of publication	Pd(ii)-catalyzed β- and γ-C-(sp<sup>3</sup>)-H dienylation with allenyl acetates.
Authors of publication	Shukla, Rahul K.; Nair, Akshay M.; Volla, Chandra M. R.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	4
Pages of publication	955 - 962
a	18.5183 ± 0.0003 Å
b	9.4082 ± 0.0001 Å
c	20.3888 ± 0.0002 Å
α	90°
β	102.717 ± 0.002°
γ	90°
Cell volume	3465.08 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0843
Weighted residual factors for significantly intense reflections	0.2167
Weighted residual factors for all reflections included in the refinement	0.2221
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
281362 (current)	2023-03-04	cif/ Updating files of 1568218, 1568219, 1568220 Original log message: Adding full bibliography for 1568218--1568220.cif.	1568220.cif
280108	2023-01-05	cif/ Adding structures of 1568218, 1568219, 1568220 via cif-deposit CGI script.	1568220.cif