Crystallography Open Database

Information card for entry 1545279

Preview

Coordinates	1545279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 N3
Calculated formula	C24 H29 N3
SMILES	N1=C(C(=C(NC(C)(C)C)C1=NC(C)(C)C)c1ccccc1)c1ccccc1
Title of publication	Palladium-Catalyzed Double-Isocyanide Insertion via Oxidative N-O Cleavage of Acetyl Oximes: Syntheses of 2H-Pyrrol-2-imines.
Authors of publication	Senadi, Gopal Chandru; Lu, Ting-Yi; Dhandabani, Ganesh Kumar; Wang, Jeh-Jeng
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	5
Pages of publication	1172 - 1175
a	10.2983 ± 0.0009 Å
b	10.3586 ± 0.0009 Å
c	10.9392 ± 0.001 Å
α	89.722 ± 0.007°
β	67.73 ± 0.008°
γ	85.303 ± 0.007°
Cell volume	1075.84 ± 0.18 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1173
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
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
193638 (current)	2017-03-04	cif/ Updating files of 1545279 Original log message: Adding full bibliography for 1545279.cif.	1545279.cif
192208	2017-02-17	cif/ Adding structures of 1545279 via cif-deposit CGI script.	1545279.cif