Crystallography Open Database

Information card for entry 7160162

Preview

Coordinates	7160162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 N5
Calculated formula	C22 H17 N5
Title of publication	L-Proline catalyzed multi-component synthesis of <i>N</i>-pyridyl-tetrahydroisoquinolines and their α-C(sp<sup>3</sup>)-H oxygenation.
Authors of publication	Boruah, Aditi; Deb, Mohit L.; Thakuria, Ranjit; Baruah, Pranjal K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	43
Pages of publication	8608 - 8616
a	16.101 ± 0.005 Å
b	7.088 ± 0.003 Å
c	17.585 ± 0.006 Å
α	90°
β	112.166 ± 0.007°
γ	90°
Cell volume	1858.6 ± 1.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.1018
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	0.896
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
296670 (current)	2024-12-06	cif/ Updating files of 7160161, 7160162 Original log message: Adding full bibliography for 7160161--7160162.cif.	7160162.cif
294997	2024-10-03	cif/ Adding structures of 7160161, 7160162 via cif-deposit CGI script.	7160162.cif