Crystallography Open Database

Information card for entry 1507837

Preview

Coordinates	1507837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 F6 N3 P
Calculated formula	C17 H20 F6 N3 P
SMILES	[P](F)(F)(F)(F)(F)[F-].n1(c2ccc(N(CC)CC)cc2)c[n+]2c(cccc2)c1
Title of publication	Fluorescence switching of imidazo[1,5-a]pyridinium ions: pH-sensors with dual emission pathways.
Authors of publication	Hutt, Johnathon T.; Jo, Junyong; Olasz, András; Chen, Chun-Hsing; Lee, Dongwhan; Aron, Zachary D.
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	12
Pages of publication	3162 - 3165
a	24.3719 ± 0.0019 Å
b	10.2345 ± 0.0007 Å
c	14.8466 ± 0.0011 Å
α	90°
β	99.345 ± 0.001°
γ	90°
Cell volume	3654.1 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0971
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for all reflections	0.2454
Weighted residual factors for significantly intense reflections	0.2263
Weighted residual factors for all reflections included in the refinement	0.2412
Goodness-of-fit parameter for all reflections included in the refinement	1.0111
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1507837.cif
113515	2014-05-13	cif/ Updating files of 1507837 Original log message: Adding full bibliography for 1507837.cif.	1507837.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507837.cif
62325	2012-07-07	cif/ Adding structures of 1507837 via cif-deposit CGI script.	1507837.cif