Information card for entry 7204856

Structure parameters

• Common name: 2,6-bis(3-pyridilmethylidene)cyclohexan
• Chemical name: 2,6-bis(3-pyridilmethylidene)cyclohexan
• Formula: C18 H16 N2 O
• Calculated formula: C18 H16 N2 O
• SMILES: O=C1/C(=C/c2cccnc2)CCCC\1=C/c1cccnc1
• Title of publication: Novel dienone-based ligands for the synthesis of coordination polymers
• Authors of publication: Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 23
• Pages of publication: 112 - 115
• a: 9.0541 ± 0.0002 Å
• b: 9.3447 ± 0.0003 Å
• c: 9.7248 ± 0.0003 Å
• α: 81.711 ± 0.001°
• β: 70.102 ± 0.001°
• γ: 64.45 ± 0.001°
• Cell volume: 698.01 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No