Information card for entry 2208414

Structure parameters

• Chemical name: 2-[2,2,6,6-Tetramethyl-5-(2-pyridyl)hepta-3,4-dien-3-yl]pyridine
• Formula: C23 H30 N2
• Calculated formula: C23 H30 N2
• SMILES: n1c(cccc1C)C(=C=C(c1nc(ccc1)C)C(C)(C)C)C(C)(C)C
• Title of publication: 6-Methyl-2-[2,2,6,6-tetramethyl-5-(2-pyridyl)hepta-3,4-dien-3-yl]pyridine
• Authors of publication: Averbeck, Jan; Schürmann, Markus; Preut, Hans; Krause, Norbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o951 - o952
• a: 9.6201 ± 0.0008 Å
• b: 10.4931 ± 0.0012 Å
• c: 11.1713 ± 0.0011 Å
• α: 90.172 ± 0.006°
• β: 110.536 ± 0.006°
• γ: 97.963 ± 0.006°
• Cell volume: 1044.22 ± 0.19 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 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: 0.1077
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes