Crystallography Open Database

Information card for entry 7210426

Preview

Coordinates	7210426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H36 N2 O12
Calculated formula	C46 H36 N2 O12
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	7.606 ± 0.0004 Å
b	11.1161 ± 0.0009 Å
c	12.0927 ± 0.0008 Å
α	115.965 ± 0.007°
β	93.139 ± 0.005°
γ	92.811 ± 0.006°
Cell volume	914.8 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0721
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1496
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7210426.cif
87621	2013-08-27	cif/ Adding structures of 7210421, 7210422, 7210423, 7210424, 7210425, 7210426 via cif-deposit CGI script.	7210426.cif