Crystallography Open Database

Information card for entry 1503457

Preview

Coordinates	1503457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H23 N O3
Calculated formula	C31 H23 N O3
SMILES	O(c1ccc2n(c3c(c2c1)cc(Oc1ccccc1)cc3)c1ccc(OC)cc1)c1ccccc1
Title of publication	Synthesis and Properties of Oxygen-LinkedN-Phenylcarbazole Dendrimers
Authors of publication	Lee, Chung-Chieh; Leung, Man-kit; Lee, Pei-Yu; Chiu, Tien-Lung; Lee, Jiun-Haw; Liu, Chun; Chou, Pi-Tai
Journal of publication	Macromolecules
Year of publication	2012
Journal volume	45
Journal issue	2
Pages of publication	751
a	10.99 ± 0.0002 Å
b	11.295 ± 0.0003 Å
c	11.649 ± 0.0002 Å
α	117.001 ± 0.001°
β	95.826 ± 0.0014°
γ	104.191 ± 0.0012°
Cell volume	1210.58 ± 0.05 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1039
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	1503457.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503457.cif
37839	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 1503457 via cif-deposit CGI script.	1503457.cif