Information card for entry 7204353

Structure parameters

• Formula: C14 H16 N4
• Calculated formula: C14 H16 N4
• Title of publication: Synthesis and structural analysis of 2,11-diaza[3.3](3,5)pyridinophaneElectronic supplementary information (ESI) available: 3D coordinates for compounds 1 and 6 and for the three calculated conformers of compound 1 (1BB, 1CB and 1CC). See http://www.rsc.org/suppdata/p2/b2/b200402j/
• Authors of publication: Satou, Teizi; Shinmyozu, Teruo
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 393
• a: 8.1751 ± 0.0004 Å
• b: 12.6839 ± 0.0009 Å
• c: 11.4135 ± 0.0007 Å
• α: 89°
• β: 89°
• γ: 90°
• Cell volume: 1183.13 ± 0.13 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No