Crystallography Open Database

Information card for entry 7060999

Preview

Coordinates	7060999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 Cl O5
Calculated formula	C28 H21 Cl O5
Title of publication	Efficient synthesis of tetra- and penta-substituted benzenes via a domino annulation reaction of a pyridinium ylide and chalcone o-enolate
Authors of publication	Xu, Feng-Shun; Yan, Chen; Sun, Jing; Yan, Chao-Guo
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	42
Pages of publication	19666 - 19670
a	9.642 ± 0.0009 Å
b	9.6811 ± 0.001 Å
c	14.0972 ± 0.0013 Å
α	83.296 ± 0.003°
β	76.282 ± 0.003°
γ	66.624 ± 0.003°
Cell volume	1173.1 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.072
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
270481 (current)	2021-11-06	cif/ Updating files of 7060998, 7060999 Original log message: Adding full bibliography for 7060998--7060999.cif.	7060999.cif
269555	2021-10-05	cif/ Adding structures of 7060998, 7060999 via cif-deposit CGI script.	7060999.cif