Information card for entry 2205168

Structure parameters

• Chemical name: 2,6-Bis[2,4-bis(heptyloxy)phenyl]pyridine
• Formula: C41 H61 N O4
• Calculated formula: C41 H61 N O4
• SMILES: CCCCCCOc1cc(OCCCCCC)ccc1c1cccc(n1)c1ccc(cc1OCCCCCC)OCCCCCC
• Title of publication: 2,6-Bis[2,4-bis(heptyloxy)phenyl]pyridine
• Authors of publication: Alcock, Nathaniel W.; Rourke, Jonathan P
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o368 - o369
• a: 11.2502 ± 0.001 Å
• b: 6.9682 ± 0.0006 Å
• c: 24.014 ± 0.002 Å
• α: 90°
• β: 93.963 ± 0.002°
• γ: 90°
• Cell volume: 1878 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes