Information card for entry 1575335

Structure parameters

• Chemical name: 4'-phenyl-1',4'-dihydro-2,2':6',2''-terpyridine
• Formula: C21 H17 N3
• Calculated formula: C21 H17 N3
• Title of publication: Crystal Structure of 4′-Phenyl-1′,4′-Dihydro-2,2′:6′,2″-Terpyridine: An Intermediate from the Synthesis of Phenylterpyridine
• Authors of publication: Sedykh, Alexander; Zhernakov, Maksim; Becker, Mariia; Kurth, Dirk G.; Müller-Buschbaum, Klaus
• Journal of publication: Crystals
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 619
• a: 6.1325 ± 0.0004 Å
• b: 8.2667 ± 0.0005 Å
• c: 16.0523 ± 0.0011 Å
• α: 86.829 ± 0.002°
• β: 82.507 ± 0.002°
• γ: 84.603 ± 0.002°
• Cell volume: 802.49 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No