Crystallography Open Database

Information card for entry 1502182

Preview

Coordinates	1502182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 B2 F4 N4
Calculated formula	C36 H32 B2 F4 N4
SMILES	F[B]1(F)[n]2c(cc(c2)c2cn3c(c2)C(=c2[n](ccc2)[B]3(F)F)c2c(cc(cc2C)C)C)=C(c2n1ccc2)c1c(cc(cc1C)C)C
Title of publication	Synthesis of directly connected BODIPY oligomers through Suzuki-Miyaura coupling.
Authors of publication	Hayashi, Yosuke; Yamaguchi, Shigeru; Cha, Won Young; Kim, Dongho; Shinokubo, Hiroshi
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	12
Pages of publication	2992 - 2995
a	8.4027 ± 0.0013 Å
b	13.081 ± 0.002 Å
c	13.958 ± 0.002 Å
α	90°
β	99.794 ± 0.003°
γ	90°
Cell volume	1511.8 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.171
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
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.	1502182.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502182.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502182.cif
35492	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502182 via cif-deposit CGI script.	1502182.cif