Crystallography Open Database

Information card for entry 7229008

Preview

Coordinates	7229008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 F I2 N4 O
Calculated formula	C23 H29 F I2 N4 O
SMILES	Fc1ccc2n(c3nc4ccccc4[n+](c3c2c1)C)CC[N+]1(CCCCC1)C.[I-].[I-].O
Title of publication	Synthesis, cytotoxic evaluation and DNA binding study of 9-fluoro-6H-indolo[2,3-b]quinoxaline derivatives
Authors of publication	Gu, Zhenyu; Li, Yanci; Ma, Songliang; Li, Shenghui; Zhou, Guoqiang; Ding, Shan; Zhang, Jinchao; Wang, Shuxiang; Zhou, Chuanqi
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	66
Pages of publication	41869
a	7.84 ± 0.003 Å
b	12.067 ± 0.005 Å
c	14.22 ± 0.006 Å
α	87.101 ± 0.006°
β	77.634 ± 0.006°
γ	89.744 ± 0.007°
Cell volume	1312.4 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
200003 (current)	2017-08-30	cif/ Adding structures of 7229008 via cif-deposit CGI script.	7229008.cif