Information card for entry 7111491

Structure parameters

• Formula: C72 H99 Cl4 N36 O29.5
• Calculated formula: C72 H72 Cl4 N36 O29.5
• Title of publication: Template directed photodimerization of trans-1,2-bis(n-pyridyl)ethylenes and stilbazoles in water
• Authors of publication: Pattabiraman, Mahesh; Natarajan, Arunkumar; Kaliappan, Raja; Mague, Joel T.; Ramamurthy, V.
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 36
• Pages of publication: 4542 - 4544
• a: 12.938 ± 0.002 Å
• b: 14.613 ± 0.002 Å
• c: 25.703 ± 0.004 Å
• α: 88.608 ± 0.002°
• β: 89.882 ± 0.002°
• γ: 76.149 ± 0.002°
• Cell volume: 4716.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1932
• Residual factor for significantly intense reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.3559
• Weighted residual factors for all reflections included in the refinement: 0.3856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No