Crystallography Open Database

Information card for entry 7216294

Preview

Coordinates	7216294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 N O2.25
Calculated formula	C18 H17 N O2.25
SMILES	O.c1(c2ccccc2cc2ccccc12)C(=O)[O-].C(C=C)[NH3+]
Title of publication	Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions
Authors of publication	Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia
Journal of publication	CrystEngComm
Year of publication	2003
Journal volume	5
Journal issue	67
Pages of publication	385 - 387
a	19.075 ± 0.0018 Å
b	19.075 ± 0.0018 Å
c	8.537 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3106.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.1793
Goodness-of-fit parameter for all reflections included in the refinement	0.922
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180493 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/62.	7216294.cif
132201	2015-02-21	cif/7/21/ (antanas@koala.ibt.lt) Updating bibliography for CIF 7216294, 7216295.	7216294.cif
115355	2014-06-03	cif/ Adding structures of 7216294, 7216295 via cif-deposit CGI script.	7216294.cif