Crystallography Open Database

Information card for entry 7210422

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Structure parameters

Common name	fluorescein:phenantridine cocrystal
Formula	C46 H30 N2 O5
Calculated formula	C46 H30 N2 O5
SMILES	C12(c3c(C(=O)O1)cccc3)c1ccc(O)cc1Oc1c2ccc(O)c1.n1cc2c(cccc2)c2ccccc12.n1cc2ccccc2c2ccccc12
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	27.7697 ± 0.0034 Å
b	15.4238 ± 0.002 Å
c	7.98164 ± 0.00085 Å
α	90°
β	90°
γ	90°
Cell volume	3418.7 ± 0.7 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor R(I) for significantly intense reflections	0.023
Goodness-of-fit parameter for all reflections	4.176
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
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.	7210422.cif
180435	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.	7210422.cif
87621	2013-08-27	cif/ Adding structures of 7210421, 7210422, 7210423, 7210424, 7210425, 7210426 via cif-deposit CGI script.	7210422.cif