Crystallography Open Database

Information card for entry 4030390

Preview

Coordinates	4030390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 I3 N3
Calculated formula	C28 H24 I3 N3
Title of publication	Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems.
Authors of publication	Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	2
Pages of publication	882 - 896
a	28.5414 ± 0.0012 Å
b	6.3924 ± 0.0003 Å
c	31.3881 ± 0.0014 Å
α	90°
β	109.225 ± 0.002°
γ	90°
Cell volume	5407.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0748
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	0.843
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
178482 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/03.	4030390.cif
130695	2015-02-04	cif/ Updating files of 4030390, 4030391, 4030392 Original log message: Adding full bibliography for 4030390--4030392.cif.	4030390.cif
129218	2014-12-30	cif/ Adding structures of 4030390 via cif-deposit CGI script.	4030390.cif