Information card for entry 7205674

Structure parameters

• Common name: (1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol)
• Chemical name: (1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol)
• Formula: C21 H18 N2 O4
• Calculated formula: C21 H18 N2 O4
• Title of publication: Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR
• Authors of publication: Santra, Ramkinkar; Biradha, Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3246
• a: 8.6268 ± 0.0009 Å
• b: 9.6019 ± 0.001 Å
• c: 12.1252 ± 0.0013 Å
• α: 76.149 ± 0.003°
• β: 88.03 ± 0.003°
• γ: 67.701 ± 0.003°
• Cell volume: 900.46 ± 0.17 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: 0.0617
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No