Information card for entry 7203373

Structure parameters

• Common name: 1,8-dipyridylnaphthalene form I
• Chemical name: 1,8-dipyridylnaphthalene form I
• Formula: C20 H14 N2
• Calculated formula: C20 H14 N2
• SMILES: n1ccc(c2cccc3cccc(c23)c2ccncc2)cc1
• Title of publication: Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment
• Authors of publication: Mei, Xuefeng; Wolf, Christian
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 377
• a: 11.0874 ± 0.0018 Å
• b: 9.5068 ± 0.0015 Å
• c: 13.959 ± 0.002 Å
• α: 90°
• β: 105.835 ± 0.003°
• γ: 90°
• Cell volume: 1415.5 ± 0.4 ų
• Cell temperature: 359 ± 2 K
• Ambient diffraction temperature: 359 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No