Crystallography Open Database

Information card for entry 7153398

Preview

Coordinates	7153398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H20
Calculated formula	C29 H20
Title of publication	Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.
Authors of publication	Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2010
Journal volume	8
Journal issue	17
Pages of publication	3997 - 4010
a	24.337 ± 0.003 Å
b	5.7025 ± 0.0007 Å
c	28.668 ± 0.003 Å
α	90°
β	99.404 ± 0.002°
γ	90°
Cell volume	3925.1 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
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	0.0479
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180319 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/33.	7153398.cif
93258	2014-01-12	cif/ Adding structures of 7153391, 7153392, 7153393, 7153394, 7153395, 7153396, 7153397, 7153398, 7153399, 7153400, 7153401, 7153402 via cif-deposit CGI script.	7153398.cif