Crystallography Open Database

Information card for entry 7060405

Preview

Coordinates	7060405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 O4
Calculated formula	C22 H18 O4
Title of publication	Unusual titanium-induced McMurry coupling of 4-oxo-4H-chromene-2-carbaldehydes enroute to bis-chromones
Authors of publication	Yerrabelly, Jayaprakash Rao; Bathini, Pavan Kumar; Yerrabelly, Hemasri; Vadapalli, Kishore
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	10
Pages of publication	4705 - 4709
a	7.4743 ± 0.0005 Å
b	15.2098 ± 0.0008 Å
c	14.2562 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1620.68 ± 0.17 Å³
Cell temperature	290 K
Ambient diffraction temperature	290 K
Number of distinct elements	3
Space group number	41
Hermann-Mauguin space group symbol	C 2 e b
Hall space group symbol	C -2ac 2
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1856
Weighted residual factors for all reflections included in the refinement	0.2021
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
263802 (current)	2021-04-05	cif/ Updating files of 7060405 Original log message: Adding full bibliography for 7060405.cif.	7060405.cif
261951	2021-02-14	cif/ Adding structures of 7060405 via cif-deposit CGI script.	7060405.cif