Information card for entry 1505450

Structure parameters

• Common name: 2,6-naphthalenedicarboxylic acid and 1,8-dipyridylnaphthalene
• Chemical name: 2,6-naphthalenedicarboxylic acid and 1,8-dipyridylnaphthalene
• Formula: C64 H44 N4 O8
• Calculated formula: C64 H44 N4 O8
• SMILES: OC(=O)c1cc2ccc(cc2cc1)C(=O)O.n1ccc(c2cccc3cccc(c23)c2ccncc2)cc1
• 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: 31.358 ± 0.003 Å
• b: 7.4247 ± 0.0008 Å
• c: 21.751 ± 0.002 Å
• α: 90°
• β: 107.672 ± 0.002°
• γ: 90°
• Cell volume: 4825.2 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No