Crystallography Open Database

Information card for entry 7713373

Preview

Coordinates	7713373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Br N5
Calculated formula	C24 H20 Br N5
SMILES	Brc1ccc2[nH]c3/C(NCCc4ccccc4c3c2c1)=N/N=C(/c1ncccc1)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	8.0799 ± 0.0003 Å
b	15.5637 ± 0.0005 Å
c	15.6684 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1970.35 ± 0.12 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
284790 (current)	2023-07-05	cif/ Adding structures of 7713369, 7713370, 7713371, 7713372, 7713373, 7713374, 7713375, 7713376, 7713377 via cif-deposit CGI script.	7713373.cif