Crystallography Open Database

Information card for entry 7126393

Preview

Coordinates	7126393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H60 N2 O8 P2
Calculated formula	C63 H60 N2 O8 P2
Title of publication	A three-component reaction of phosphorus ylides with isocyanates: facile synthesis of 2-amino-3-carboxylate-4-quinolones.
Authors of publication	Babu, Kaki Raveendra; Han, Wendan; Chen, Jian-Bo; Li, Yang; Tang, Yuhai; Zhang, Wenquan; Xu, Wenbo; Xu, Silong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	44
Pages of publication	5909 - 5912
a	33.89 ± 0.02 Å
b	9.68 ± 0.007 Å
c	18.339 ± 0.013 Å
α	90°
β	115.521 ± 0.009°
γ	90°
Cell volume	5429 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1887
Weighted residual factors for all reflections included in the refinement	0.221
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
252680 (current)	2020-06-05	cif/ Updating files of 7126391, 7126392, 7126393, 7126394 Original log message: Adding full bibliography for 7126391--7126394.cif.	7126393.cif
250902	2020-04-18	cif/ Adding structures of 7126391, 7126392, 7126393, 7126394 via cif-deposit CGI script.	7126393.cif