Information card for entry 7051257

Structure parameters

• Common name: 1:1 molecular complex of phenazine and 5,10-dihydrophenazine
• Formula: C24 H18 N4
• Calculated formula: C24 H18 N4
• Title of publication: Role of weak hydrogen bonds in the crystal structures of phenazine, 5,10-dihydrophenazine and their 1:1 and 3:1 molecular complexes
• Authors of publication: Thalladi, Venkat R.; Smolka, Tanja; Gehrke, Annette; Boese, Roland; Sustmann, Reiner
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 143
• a: 11.6466 ± 0.0003 Å
• b: 6.2335 ± 0.0002 Å
• c: 12.5573 ± 0.0005 Å
• α: 90°
• β: 97.612 ± 0.002°
• γ: 90°
• Cell volume: 903.61 ± 0.05 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No