Crystallography Open Database

Information card for entry 7210423

Preview

Coordinates	7210423.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	fluorescein:pyrazine cocrystal
Formula	C24 H16 N2 O5
Calculated formula	C24 H16 N2 O5
Title of publication	Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals
Authors of publication	Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	32
Pages of publication	6289
a	7.81238 ± 0.00087 Å
b	19.0241 ± 0.0017 Å
c	12.788 ± 0.0014 Å
α	90°
β	91.1378 ± 0.0067°
γ	90°
Cell volume	1900.2 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor R(I) for significantly intense reflections	0.028
Goodness-of-fit parameter for all reflections	1.692
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180435 (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 7/21/04.	7210423.cif
87621	2013-08-27	cif/ Adding structures of 7210421, 7210422, 7210423, 7210424, 7210425, 7210426 via cif-deposit CGI script.	7210423.cif