Crystallography Open Database

Information card for entry 1504154

Preview

Coordinates	1504154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C141 H88 F8
Calculated formula	C141 H88 F8
SMILES	c12ccccc1C1(c3c2ccc2c3C3(c4c2cccc4)c2cc(c4ccc(cc4)F)ccc2c2ccc(c4ccc(cc4)F)cc32)c2cc(c3ccc(cc3)F)ccc2c2ccc(c3ccc(cc3)F)cc12.CCCCC
Title of publication	Tuning the optical properties of aryl-substituted dispirofluorene-indenofluorene isomers through intramolecular excimer formation.
Authors of publication	Thirion, Damien; Poriel, Cyril; Barrière, Frédéric; Métivier, Rémi; Jeannin, Olivier; Rault-Berthelot, Joëlle
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	21
Pages of publication	4794 - 4797
a	14.2342 ± 0.0008 Å
b	16.3982 ± 0.0011 Å
c	23.0578 ± 0.0015 Å
α	106.176 ± 0.002°
β	91.373 ± 0.002°
γ	106.571 ± 0.002°
Cell volume	4922.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1193
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1698
Weighted residual factors for all reflections included in the refinement	0.2013
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1504154.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504154.cif
39418	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504154 via cif-deposit CGI script.	1504154.cif