Crystallography Open Database

Information card for entry 1570559

Preview

Coordinates	1570559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 N
Calculated formula	C17 H18 N
Title of publication	A four-component reaction to access 3,3-disubstituted indolines <i>via</i> the palladium-norbornene-catalyzed <i>ortho</i> amination/<i>ipso</i> conjunctive coupling.
Authors of publication	Rago, Alexander J.; Ye, Rong; Liu, Xin; Dong, Guangbin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	4
Pages of publication	1318 - 1323
a	8.5075 ± 0.0002 Å
b	9.6128 ± 0.0002 Å
c	16.4841 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1348.08 ± 0.05 Å³
Cell temperature	99.9 ± 0.6 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289412 (current)	2024-02-04	cif/ Updating files of 1570559 Original log message: Adding full bibliography for 1570559.cif.	1570559.cif
288328	2023-12-15	cif/ Adding structures of 1570559 via cif-deposit CGI script.	1570559.cif