Crystallography Open Database

Information card for entry 4035518

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Structure parameters

Formula	C21 H17 F2 N3 O4
Calculated formula	C21 H17 F2 N3 O4
SMILES	Fc1ccc(cc1)CNc1nc2c(cc1N(=O)=O)C(OCC)Oc1c2cc(F)cc1
Title of publication	Three-Component Site-Selective Synthesis of Highly Substituted 5 H-Chromeno-[4,3- b]pyridines.
Authors of publication	Zhang, Cong-Hai; Huang, Rong; Hu, Xing-Mei; Lin, Jun; Yan, Sheng-Jiao
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	9
Pages of publication	4981 - 4989
a	4.459 ± 0.0017 Å
b	17.667 ± 0.007 Å
c	24.108 ± 0.009 Å
α	90°
β	93.963 ± 0.006°
γ	90°
Cell volume	1894.6 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1506
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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