Crystallography Open Database

Information card for entry 4025208

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Coordinates	4025208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H29 N O
Calculated formula	C50.5 H29 N O0.5
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	14.49 ± 0.006 Å
b	11.893 ± 0.004 Å
c	21.667 ± 0.008 Å
α	90°
β	108.022 ± 0.005°
γ	90°
Cell volume	3551 ± 2 Å³
Cell temperature	153.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	4025208.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4025208.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4025208.cif
10981	2011-02-14	../uploads/cif-deposit/cod/cif Adding structures of 4025208 via cif-deposit CGI script.	4025208.cif