Crystallography Open Database

Information card for entry 1515942

Preview

Coordinates	1515942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.5 H21 Cl N2 O2
Calculated formula	C20.5 H21 Cl N2 O2
Title of publication	Dual C-H Functionalization of N-Aryl Amines: Synthesis of Polycyclic Amines via an Oxidative Povarov Approach.
Authors of publication	Min, Chang; Sanchawala, Abbas; Seidel, Daniel
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	10
Pages of publication	2756 - 2759
a	11.233 ± 0.0019 Å
b	22.492 ± 0.004 Å
c	7.1548 ± 0.0012 Å
α	90°
β	99.452 ± 0.003°
γ	90°
Cell volume	1783.1 ± 0.5 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.2032
Weighted residual factors for all reflections included in the refinement	0.2129
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515942.cif
115911	2014-06-05	cif/ Updating files of 1515942 Original log message: Adding full bibliography for 1515942.cif.	1515942.cif
112498	2014-05-02	cif/ Adding structures of 1515942 via cif-deposit CGI script.	1515942.cif