Crystallography Open Database

Information card for entry 1504430

Preview

Structure parameters

Formula	C24 H19 B Cl2 I2 N2 O
Calculated formula	C24 H19 B Cl2 I2 N2 O
SMILES	Ic1ccc(cc1)[B]1([n]2c3c(ccc2)cccc3N1C(=O)C)c1ccc(I)cc1.ClCCl
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	16.7466 ± 0.0003 Å
b	20.0392 ± 0.0005 Å
c	29.3774 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	9858.7 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1475
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1504430.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1504430.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504430.cif
42044	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504430 via cif-deposit CGI script.	1504430.cif