Information card for entry 2218392

Structure parameters

• Chemical name: Bis(4-pyridylmethyl) hexanedioate
• Formula: C18 H20 N2 O4
• Calculated formula: C18 H20 N2 O4
• SMILES: O=C(OCc1ccncc1)CCCCC(=O)OCc1ccncc1
• Title of publication: Bis(4-pyridylmethyl) hexanedioate
• Authors of publication: Yang, Jin-Hui; Zhang, Jian-Min; Chen, Yan-Xue; Diao, Jian-Zhi; Peng, Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1100
• a: 9.1489 ± 0.0018 Å
• b: 10.164 ± 0.002 Å
• c: 8.9206 ± 0.0018 Å
• α: 90°
• β: 102.11 ± 0.03°
• γ: 90°
• Cell volume: 811.1 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes