Crystallography Open Database

Information card for entry 1568452

Preview

Coordinates	1568452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H34 N2 O
Calculated formula	C35 H34 N2 O
Title of publication	Metal-free photosensitized radical relay 1,4-carboimination across two distinct olefins
Authors of publication	Tan, Guangying; Paulus, Fritz; Petti, Alessia; Wiethoff, Maxim-Aleksa; Lauer, Anna; Daniliuc, Constantin; Glorius, Frank
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	9
Pages of publication	2447 - 2454
a	9.3198 ± 0.0003 Å
b	11.1833 ± 0.0004 Å
c	26.6506 ± 0.0007 Å
α	90°
β	99.812 ± 0.001°
γ	90°
Cell volume	2737.06 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.057
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	single crystal
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
281388 (current)	2023-03-04	cif/ Updating files of 1568452 Original log message: Adding full bibliography for 1568452.cif.	1568452.cif
280965	2023-02-20	cif/ Adding structures of 1568452 via cif-deposit CGI script.	1568452.cif