Information card for entry 7106875

Structure parameters

• Common name: r-1,t-3-bis(4-pyridyl)-c-2,t-4-bis(N-(3(4-pyridyl)acryloyl) - hydrazinocarbonyl)cyclobutane,tetra hydrate
• Chemical name: r-1,t-3-bis(4-pyridyl)-c-2,t-4-bis(N-(3(4-pyridyl)acryloyl) -hydrazinocarbonyl)cyclobutane,tetra hydrate
• Formula: C32 H36 N8 O8
• Calculated formula: C32 H36 N8 O8
• SMILES: N(NC(=O)/C=C/c1ccncc1)C(=O)C1C(c2ccncc2)C(C1c1ccncc1)C(=O)NNC(=O)/C=C/c1ccncc1.O.O.O.O
• Title of publication: Weak Ag—Ag and Ag—Pi Interactions in Templating Regio Selective Single and Double [2+2] Reactions of N,N'-bis(3-(4-pyridyl)acryloyl)-hydrazine in the Solid State
• Authors of publication: Ramkinkar Santra; Kaustuv Banerjee; Kumar Biradha
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10740
• a: 4.7469 ± 0.0009 Å
• b: 9.6101 ± 0.0018 Å
• c: 17.895 ± 0.003 Å
• α: 84.941 ± 0.006°
• β: 84.373 ± 0.008°
• γ: 80.613 ± 0.006°
• Cell volume: 799.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0973
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No