Crystallography Open Database

Information card for entry 7000865

Preview

Coordinates	7000865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 N3 O5
Calculated formula	C23 H25 N3 O5
SMILES	c1(cccc(n1)C(=O)Nc1ccc(cc1)CCO)C(=O)Nc1ccc(cc1)CCO.O
Title of publication	Effect of metal coordination on the interaction of substituted phenanthroline and pyridine ligands with quadruplex DNA
Authors of publication	Reed, Julie E.; White, Andrew J. P.; Neidle, Stephen; Vilar, Ramón
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	14
Pages of publication	2558 - 2568
a	9.2473 ± 0.0001 Å
b	9.2473 ± 0.0001 Å
c	23.1554 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1980.08 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7000865.html