Crystallography Open Database

Information card for entry 1520700

1520699 << 1520700 >> 1520701

Preview

Coordinates	1520700.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	man615_LT
Formula	C21 H23 N2 O Rh
Calculated formula	C21 H23 N2 O Rh
Title of publication	RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes
Authors of publication	Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5802
a	7.9626 ± 0.0002 Å
b	12.2907 ± 0.0004 Å
c	18.1403 ± 0.0005 Å
α	90°
β	102.579 ± 0.001°
γ	90°
Cell volume	1732.7 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0336
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
170929 (current)	2015-12-09	cif/ Updating files of 1520695, 1520696, 1520697, 1520698, 1520699, 1520700 Original log message: Adding full bibliography for 1520695--1520700.cif.	1520700.cif
139790	2015-06-30	cif/ Adding structures of 1520695, 1520696, 1520697, 1520698, 1520699, 1520700 via cif-deposit CGI script.	1520700.cif