Crystallography Open Database

Information card for entry 7711474

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Coordinates	7711474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 Na2 O11
Calculated formula	C22 H24 Na2 O11
Title of publication	Metal complexes of pro-vitamin K3 analog phthiocol (2-hydroxy-3-methylnaphthalene-1,4-dione): Synthesis, Characterization and anticancer activity
Authors of publication	Harihar, Shital; Mone, Nishigandha Sanjay; Satpute, Surekha Khandu; Chadar, Dattatray; Chakravarty, Debamitra; Weyhermueller, Thomas; Butcher, R. J.; Salunke-Gawali, Sunita
Journal of publication	Dalton Transactions
Year of publication	2022
a	17.988 ± 0.003 Å
b	18.798 ± 0.003 Å
c	6.7722 ± 0.0009 Å
α	90°
β	101.468 ± 0.005°
γ	90°
Cell volume	2244.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.2279
Residual factor for significantly intense reflections	0.096
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
278572 (current)	2022-10-14	cif/ Adding structures of 7711472, 7711473, 7711474, 7711475, 7711476 via cif-deposit CGI script.	7711474.cif