Crystallography Open Database

Information card for entry 1568219

Preview

Coordinates	1568219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 N2 O
Calculated formula	C27 H22 N2 O
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	17.933 ± 0.004 Å
b	5.7655 ± 0.0013 Å
c	20.387 ± 0.004 Å
α	90°
β	93.694 ± 0.019°
γ	90°
Cell volume	2103.5 ± 0.8 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2383
Residual factor for significantly intense reflections	0.1125
Weighted residual factors for significantly intense reflections	0.2548
Weighted residual factors for all reflections included in the refinement	0.3469
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
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
281362 (current)	2023-03-04	cif/ Updating files of 1568218, 1568219, 1568220 Original log message: Adding full bibliography for 1568218--1568220.cif.	1568219.cif
280108	2023-01-05	cif/ Adding structures of 1568218, 1568219, 1568220 via cif-deposit CGI script.	1568219.cif