Crystallography Open Database

Information card for entry 7157669

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Coordinates	7157669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N6
Calculated formula	C20 H18 N6
Title of publication	L-Proline-catalyzed regioselective C1 arylation of tetrahydroisoquinolines through a multicomponent reaction under solvent-free conditions.
Authors of publication	Rahman, Iftakur; Deka, Bhaskar; Thakuria, Ranjit; Deb, Mohit L.; Baruah, Pranjal K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	33
Pages of publication	6514 - 6518
a	5.866 ± 0.0005 Å
b	8.1481 ± 0.0008 Å
c	18.3926 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	879.11 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.1026
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1628
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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