Crystallography Open Database

Information card for entry 4025209

Preview

Coordinates	4025209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 S
Calculated formula	C49 H24 S
Title of publication	Synthesis, Structures, and Optical Properties of Heteroarene-Fused Dispiro Compounds
Authors of publication	Toshiyuki Kowada; Toshihisa Kuwabara; Kouichi Ohe
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	906 - 913
a	23.11 ± 0.015 Å
b	9.92 ± 0.006 Å
c	14.678 ± 0.01 Å
α	90°
β	95.349 ± 0.003°
γ	90°
Cell volume	3350 ± 4 Å³
Cell temperature	153.1 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4025209.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4025209.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4025209.cif
10982	2011-02-14	../uploads/cif-deposit/cod/cif Adding structures of 4025209 via cif-deposit CGI script.	4025209.cif