Information card for entry 4503834

Structure parameters

• Common name: 1:2 complex of pluoroglucinol and acridine
• Chemical name: 1:2 complex of pluoroglucinol and acridine
• Formula: C32 H24 N2 O3
• Calculated formula: C32 H24 N2 O3
• SMILES: Oc1cc(O)cc(O)c1.n1c2c(cccc2)cc2c1cccc2.n1c2c(cccc2)cc2c1cccc2
• Title of publication: The Role of π-Stacking in the Composition of Phloroglucinol and Phenazine Cocrystals
• Authors of publication: Sarma, Bipul; Reddy, L. Sreenivas; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 4546
• a: 12.3666 ± 0.0014 Å
• b: 13.714 ± 0.0016 Å
• c: 14.006 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2375.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No