Information card for entry 2015994

Structure parameters

• Chemical name: Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate
• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: COC(=O)c1cccc(n1)c1cccc(n1)C(=O)OC
• Title of publication: Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate and bis(dimethyl 2,2'-bipyridine-6,6'-dicarboxylato-κ^2^<i>N</i>,<i>N</i>')copper(I) tetrafluoroborate
• Authors of publication: Alexander J. Blake; Neil R. Champness; Pamela V. Mason; Claire Wilson
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m280 - m282
• a: 9.4182 ± 0.0015 Å
• b: 6.8889 ± 0.0011 Å
• c: 9.7931 ± 0.0015 Å
• α: 90°
• β: 109.448 ± 0.002°
• γ: 90°
• Cell volume: 599.13 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No