Crystallography Open Database

Information card for entry 7160161

Preview

Coordinates	7160161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H15 N5 O
Calculated formula	C22 H15 N5 O
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	13.34 ± 0.006 Å
b	7.845 ± 0.004 Å
c	22.448 ± 0.008 Å
α	90°
β	119.39 ± 0.02°
γ	90°
Cell volume	2046.9 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
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	0.1723
Residual factor for significantly intense reflections	0.1019
Weighted residual factors for significantly intense reflections	0.2213
Weighted residual factors for all reflections included in the refinement	0.2767
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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.	7160161.cif
294997	2024-10-03	cif/ Adding structures of 7160161, 7160162 via cif-deposit CGI script.	7160161.cif