Crystallography Open Database

Information card for entry 1512267

Preview

Coordinates	1512267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H14
Calculated formula	C24 H14
SMILES	c12[C@@H]3c4ccc(cc4[C@@H](c4ccc(cc34)C#C)c2cccc1)C#C
Title of publication	Synthesis of Triptycene-Based Organosoluble, Thermally Stable, and Fluorescent Polymers: Efficient Host‒Guest Complexation with Fullerene
Authors of publication	Mondal, Snehasish; Chakraborty, Sourav; Bhowmick, Sourav; Das, Neeladri
Journal of publication	Macromolecules
Year of publication	2013
Journal volume	46
Journal issue	17
Pages of publication	6824
a	8.2715 ± 0.0009 Å
b	10.4269 ± 0.0014 Å
c	19.179 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1654.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512267.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	1512267.cif
89049	2013-10-09	cif/ Adding structures of 1512267 via cif-deposit CGI script.	1512267.cif