Information card for entry 1505449

Structure parameters

• Common name: fumaric acid and template
• Chemical name: 1,8-dipyridyl naphthalene and fumaric acid
• Formula: C24 H18 N2 O4
• Calculated formula: C24 H18 N2 O4
• SMILES: n1ccc(cc1)c1cccc2c1c(ccc2)c1ccncc1.OC(=O)/C=C/C(=O)O
• Title of publication: Template-controlled face-to-face stacking of olefinic and aromatic carboxylic acids in the solid state.
• Authors of publication: Mei, Xuefeng; Liu, Shuanglong; Wolf, Christian
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 14
• Pages of publication: 2729 - 2732
• a: 11.5485 ± 0.0018 Å
• b: 13.991 ± 0.002 Å
• c: 13 ± 0.002 Å
• α: 90°
• β: 110.375 ± 0.003°
• γ: 90°
• Cell volume: 1969.1 ± 0.5 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1634
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No