Crystallography Open Database

Information card for entry 7161184

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Coordinates	7161184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H19 Cl F2 I2 N4
Calculated formula	C32 H19 Cl F2 I2 N4
Title of publication	Oxidative trifunctionalization of indoles with 2-aminobenzyl alcohols: access to iodo-indoloquinoline scaffolds
Authors of publication	Zhu, Yaping; Yu, Xinyan; Chen, Qinghua; Wang, Yong; Zhang, Liang; Zhao, He; Zhou, Changjian; Dai, Yong
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2026
a	4.77 ± 0.005 Å
b	21.58 ± 0.02 Å
c	13.886 ± 0.014 Å
α	90°
β	97.751 ± 0.018°
γ	90°
Cell volume	1416 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1473
Residual factor for significantly intense reflections	0.1034
Weighted residual factors for significantly intense reflections	0.2795
Weighted residual factors for all reflections included in the refinement	0.3078
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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