Crystallography Open Database

Information card for entry 7216295

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Structure parameters

Formula	C20 H21 N O3
Calculated formula	C20 H21 N O3
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	21.3642 ± 0.0006 Å
b	18.856 ± 0.0009 Å
c	8.7764 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3535.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.2078
Weighted residual factors for all reflections included in the refinement	0.2078
Goodness-of-fit parameter for all reflections included in the refinement	1.344
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7216295.cif
180493	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.	7216295.cif
132201	2015-02-21	cif/7/21/ (antanas@koala.ibt.lt) Updating bibliography for CIF 7216294, 7216295.	7216295.cif
115355	2014-06-03	cif/ Adding structures of 7216294, 7216295 via cif-deposit CGI script.	7216295.cif