Crystallography Open Database

Information card for entry 1570631

Preview

Coordinates	1570631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 N O2
Calculated formula	C17 H19 N O2
Title of publication	Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions
Authors of publication	Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul
Journal of publication	Catalysis Science & Technology
Year of publication	2024
Journal volume	14
Journal issue	2
Pages of publication	478 - 488
a	5.4042 ± 0.0001 Å
b	22.6075 ± 0.0004 Å
c	23.7568 ± 0.0004 Å
α	90°
β	95.144 ± 0.002°
γ	90°
Cell volume	2890.81 ± 0.09 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation probe	x-ray
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
289313 (current)	2024-02-04	cif/ Updating files of 1570630, 1570631 Original log message: Adding full bibliography for 1570630--1570631.cif.	1570631.cif
288654	2024-01-04	cif/ Adding structures of 1570630, 1570631 via cif-deposit CGI script.	1570631.cif