Crystallography Open Database

Information card for entry 1504429

Preview

Coordinates	1504429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 B N2 O
Calculated formula	C23 H19 B N2 O
SMILES	O=C(N1c2c3[n]([B]1(c1ccccc1)c1ccccc1)cccc3ccc2)C
Title of publication	Main-Chain-TypeN,N′-Chelate Organoboron Aminoquinolate Polymers: Synthesis, Luminescence, and Energy Transfer Behavior
Authors of publication	Nagata, Yuuya; Chujo, Yoshiki
Journal of publication	Macromolecules
Year of publication	2008
Journal volume	41
Journal issue	10
Pages of publication	3488
a	10.127 ± 0.003 Å
b	12.996 ± 0.004 Å
c	14.471 ± 0.006 Å
α	91.987 ± 0.017°
β	100.256 ± 0.017°
γ	107.122 ± 0.014°
Cell volume	1783.3 ± 1.1 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 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 all reflections	0.1122
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71075 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.	1504429.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504429.cif
42043	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504429 via cif-deposit CGI script.	1504429.cif