Crystallography Open Database

Information card for entry 7156590

Preview

Coordinates	7156590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H23 N O3
Calculated formula	C29 H23 N O3
Title of publication	Direct (het)arylation of tetrahydroisoquinolines via a metal and oxidant free C(sp<sup>3</sup>)-H functionalization enabled three component reaction.
Authors of publication	Haldar, Surajit; Jana, Chandan K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	7
Pages of publication	1800 - 1804
a	15.1652 ± 0.0008 Å
b	15.1364 ± 0.0013 Å
c	19.9955 ± 0.0013 Å
α	90°
β	106.48 ± 0.006°
γ	90°
Cell volume	4401.3 ± 0.5 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1957
Residual factor for significantly intense reflections	0.0905
Weighted residual factors for significantly intense reflections	0.1964
Weighted residual factors for all reflections included in the refinement	0.3323
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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
225208 (current)	2019-11-08	cif/ Updating files of 7156590 Original log message: Adding full bibliography for 7156590.cif.	7156590.cif
212191	2018-11-27	cif/ Adding structures of 7156590 via cif-deposit CGI script.	7156590.cif