Crystallography Open Database

Information card for entry 1514959

Preview

Coordinates	1514959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 N4 O2
Calculated formula	C54 H52 N4 O2
Title of publication	Synthesis and oxidation of cyclic tetraindole
Authors of publication	Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	2
Pages of publication	524
a	17.198 ± 0.004 Å
b	17.198 ± 0.004 Å
c	15.807 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	4675 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	120
Hermann-Mauguin space group symbol	I -4 c 2
Hall space group symbol	I -4 -2c
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1881
Weighted residual factors for all reflections included in the refinement	0.2068
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	1514959.cif
110828	2014-04-20	cif/ Adding structures of 1514958, 1514959 via cif-deposit CGI script.	1514959.cif