Crystallography Open Database

Information card for entry 7248430

Preview

Coordinates	7248430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H39 Cl3 N2 O12
Calculated formula	C51 H39 Cl3 N2 O12
Title of publication	Synthesis and study of antibiofilm and antivirulence properties of flavonol analogues generated by palladium catalyzed ligand free Suzuki–Miyaura coupling against Pseudomonas aeruginosa PAO1
Authors of publication	Benny, Anjitha Theres; Thamim, Masthan; Srivastava, Prakhar; Suresh, Sindoora; Thirumoorthy, Krishnan; Rangasamy, Loganathan; S., Karthikeyan; Easwaran, Nalini; Radhakrishnan, Ethiraj Kannatt
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	18
Pages of publication	12278 - 12293
a	8.928 ± 0.004 Å
b	13.417 ± 0.007 Å
c	20.372 ± 0.007 Å
α	100.79 ± 0.02°
β	95.217 ± 0.017°
γ	100.557 ± 0.016°
Cell volume	2336.7 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1051
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.184
Weighted residual factors for all reflections included in the refinement	0.2071
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291249 (current)	2024-04-17	cif/ Adding structures of 7248430, 7248431 via cif-deposit CGI script.	7248430.cif