Crystallography Open Database

Information card for entry 7713369

Preview

Coordinates	7713369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H37 Cl2 Cu N7 O2
Calculated formula	C31 H37 Cl2 Cu N7 O2
SMILES	[Cu]12(Cl)(Cl)[n]3ccccc3C(=[N]1NC1=[N]2CCCc2c(c3c1[nH]c1c3cccc1)cccc2)C.O=CN(C)C.O=CN(C)C
Title of publication	Indolo[2,3-e]benzazocines and indolo[2,3-f]benzazonines and their copper(II) complexes as microtubule destabilizing agents
Authors of publication	Arion, Vladimir; Wittmann, Christopher; Dömötör, Orsolya; Kuznetcova, Irina; Spengler, Gabriella; Reynisson, Johannes; Holder, Lauren; Miller, Gavin John; Enyedy, Eva A.; Bai, Ruoli; Hamel, Ernest
Journal of publication	Dalton Transactions
Year of publication	2023
a	8.8925 ± 0.0005 Å
b	21.1262 ± 0.001 Å
c	34.302 ± 0.002 Å
α	90°
β	94.643 ± 0.005°
γ	90°
Cell volume	6423 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1282
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.2103
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284790 (current)	2023-07-05	cif/ Adding structures of 7713369, 7713370, 7713371, 7713372, 7713373, 7713374, 7713375, 7713376, 7713377 via cif-deposit CGI script.	7713369.cif