Crystallography Open Database

Information card for entry 4033810

Preview

Coordinates	4033810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 N2 O
Calculated formula	C20 H16 N2 O
SMILES	O(C)C1=N/C(c2nc3c(cc12)cccc3)=C\c1cc(ccc1)C
Title of publication	Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.
Authors of publication	Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	17
Pages of publication	10710 - 10723
a	12.6894 ± 0.0018 Å
b	9.7926 ± 0.0015 Å
c	12.566 ± 0.005 Å
α	90°
β	94.98 ± 0.02°
γ	90°
Cell volume	1555.6 ± 0.7 Å³
Number of distinct elements	4
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	0.1147
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1703
Weighted residual factors for all reflections included in the refinement	0.2288
Goodness-of-fit parameter for all reflections included in the refinement	1.1542
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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