Crystallography Open Database

Information card for entry 7053899

Preview

Coordinates	7053899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H41 F N3 O6 P
Calculated formula	C36 H41 F N3 O6 P
SMILES	P(=O)(CN1CCN(CC1)c1c(F)cc2c(c1)n(cc(c2=O)C(=O)O)C1CC1)(c1ccccc1)c1ccccc1.C(=O)(C)C.C(=O)(C)C
Title of publication	Phosphine derivatives of ciprofloxacin and norfloxacin, a new class of potential therapeutic agents
Authors of publication	Bykowska, Aleksandra; Starosta, Radosław; Komarnicka, Urszula K.; Ciunik, Zbigniew; Kyzioł, Agnieszka; Guz-Regner, Katarzyna; Bugla-Płoskońska, Gabriela; Jeżowska-Bojczuk, Małgorzata
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	3
Pages of publication	1062
a	8.65 ± 0.002 Å
b	12.44 ± 0.002 Å
c	16.14 ± 0.003 Å
α	105.39 ± 0.02°
β	90.16 ± 0.02°
γ	94.95 ± 0.02°
Cell volume	1667.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0986
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.2339
Weighted residual factors for all reflections included in the refinement	0.2435
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180092 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/38.	7053899.cif
105635	2014-03-12	cif/ Adding structures of 7053899, 7053900, 7053901 via cif-deposit CGI script.	7053899.cif