Information card for entry 7210422

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 ų
• 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 Fobs: No