Crystallography Open Database

Information card for entry 1507626

Preview

Coordinates	1507626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 B F2 N2
Calculated formula	C15 H19 B F2 N2
SMILES	F[B]1(F)[n]2c(cc(c2=Cc2n1c(c(c2C)CC)C)C)C
Title of publication	An Improved Method for the Synthesis of F-BODIPYs from Dipyrrins and Bis(dipyrrin)s.
Authors of publication	Lundrigan, Travis; Baker, Alexander E. G.; Longobardi, Lauren E.; Wood, Tabitha E.; Smithen, Deborah A.; Crawford, Sarah M.; Cameron, T. Stanley; Thompson, Alison
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	8
Pages of publication	2158 - 2161
a	8.6184 ± 0.0009 Å
b	9.2516 ± 0.001 Å
c	10.4144 ± 0.001 Å
α	74.069 ± 0.005°
β	66.256 ± 0.005°
γ	84.454 ± 0.006°
Cell volume	730.81 ± 0.13 Å³
Cell temperature	296.1 K
Ambient diffraction temperature	296.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
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.	1507626.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507626.cif
57581	2012-05-18	cif/ Adding structures of 1507626 via cif-deposit CGI script.	1507626.cif