Crystallography Open Database

Information card for entry 4519221

4519220 << 4519221 >> 4519222

Preview

Coordinates	4519221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20
Calculated formula	C28 H20
Title of publication	Palladium-Catalyzed [3 + 2] Annulation of Alkynes with Concomitant Aromatic Ring Expansion: A Concise Approach to (Pseudo)azulenes
Authors of publication	Zhou, Fulin; Shi, Weiming; Liao, Xingrong; Yang, Yudong; Yu, Zhi-Xiang; You, Jingsong
Journal of publication	ACS Catalysis
Year of publication	2021
Pages of publication	676 - 686
a	8.4176 ± 0.0005 Å
b	10.9015 ± 0.0006 Å
c	11.3672 ± 0.0007 Å
α	110.376 ± 0.005°
β	95.24 ± 0.005°
γ	92.506 ± 0.005°
Cell volume	970.56 ± 0.1 Å³
Cell temperature	291.4 ± 0.7 K
Ambient diffraction temperature	291.4 ± 0.7 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.1885
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4519221.html