Crystallography Open Database

Information card for entry 7713370

Preview

Coordinates	7713370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 Br N2 O4
Calculated formula	C25 H29 Br N2 O4
SMILES	Brc1c(cccc1)CCN(C(=O)c1n(c2ccccc2c1)COCC)C(=O)OC(C)(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	9.0922 ± 0.0004 Å
b	10.7884 ± 0.0005 Å
c	13.2927 ± 0.0007 Å
α	72.853 ± 0.004°
β	81.357 ± 0.004°
γ	75.773 ± 0.004°
Cell volume	1203.45 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	7713370.cif