Information card for entry 4503835

Structure parameters

• Chemical name: 2:3.5 molecular complex of phluoroglucinol and phenazine
• Formula: C54 H40 N7 O6
• Calculated formula: C54 H40 N7 O6
• 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: 9.4776 ± 0.001 Å
• b: 14.1266 ± 0.0015 Å
• c: 17.4609 ± 0.0018 Å
• α: 70.605 ± 0.002°
• β: 82.982 ± 0.002°
• γ: 73.717 ± 0.002°
• Cell volume: 2115.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.139
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No