Crystallography Open Database

Information card for entry 4027786

Preview

Coordinates	4027786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H29.5 N O4
Calculated formula	C33 H29.5 N O4
Title of publication	Tetraaryltetraanthra[2,3]porphyrins: Synthesis, Structure, and Optical Properties
Authors of publication	Mikhail A. Filatov; Stanislav Baluschev; Iliyana Z. Ilieva; Volker Enkelmann; Tzenka Miteva; Katharina Landfester; Sergey E. Aleshchenkov; Andrei V. Cheprakov
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	11119 - 11131
a	23.0609 ± 0.0009 Å
b	23.0609 ± 0.0009 Å
c	27.0102 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	14364.2 ± 0.9 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for all reflections	0.1145
Weighted residual factors for significantly intense reflections	0.0584
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	0.9801
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4027786.cif
81872	2013-04-17	cif/ Adding structures of 4027786 via cif-deposit CGI script.	4027786.cif