Crystallography Open Database

Information card for entry 7125659

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Structure parameters

Formula	C24 H14 F N O2
Calculated formula	C24 H14 F N O2
Title of publication	Solvent-controlled divergent annulation of ynones and (iso)quinoline N-oxides: of 3-((iso)quinolin-1-yl)-4H-chromen-4-ones and 13H-isoquinolino[2,1-a]quinolin-13-ones.
Authors of publication	Yang, Wan-Wan; Chen, Lu-Lu; Chen, Pei; Ye, Ya-Fang; Wang, Yan-Bo; Zhang, Xiao
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	8
Pages of publication	1183 - 1186
a	22.6155 ± 0.0005 Å
b	22.6155 ± 0.0005 Å
c	13.8933 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7105.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.134
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7125659.cif
247584	2020-02-04	cif/ Updating files of 7125659, 7125660, 7125661 Original log message: Adding full bibliography for 7125659--7125661.cif.	7125659.cif
245228	2019-12-17	cif/ Adding structures of 7125659, 7125660, 7125661 via cif-deposit CGI script.	7125659.cif