Crystallography Open Database

Information card for entry 1514958

Preview

Coordinates	1514958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H46 Br2 N4 O2
Calculated formula	C48 H46 Br2 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	23.2637 ± 0.0017 Å
b	23.2637 ± 0.0017 Å
c	62.003 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	33556 ± 6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.1219
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.1763
Weighted residual factors for all reflections included in the refinement	0.2003
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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.	1514958.cif
110828	2014-04-20	cif/ Adding structures of 1514958, 1514959 via cif-deposit CGI script.	1514958.cif