Crystallography Open Database

Information card for entry 7248431

Preview

Coordinates	7248431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 Cl3 O7
Calculated formula	C26 H23 Cl3 O7
SMILES	ClC(Cl)Cl.O(c1ccc(cc1)c1ccc2OC(=C(O)C(=O)c2c1)c1c(OC)cc(OC)cc1OC)C
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	8.8256 ± 0.0016 Å
b	12.078 ± 0.002 Å
c	13.533 ± 0.002 Å
α	105.526 ± 0.006°
β	98.35 ± 0.006°
γ	106.79 ± 0.006°
Cell volume	1291.4 ± 0.4 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.0937
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
291249 (current)	2024-04-17	cif/ Adding structures of 7248430, 7248431 via cif-deposit CGI script.	7248431.cif