Information card for entry 7025467

Structure parameters

• Formula: C30 H21 N O2
• Calculated formula: C30 H21 N O2
• SMILES: O=N(=O)c1ccc(c2c(cc(cc2c2ccccc2)c2ccccc2)c2ccccc2)cc1
• Title of publication: A new mechanistic pathway under Sonogashira reaction protocol involving multiple acetylene insertions.
• Authors of publication: Jones, Roderick C.; Canty, Allan J.; Caradoc-Davies, Tom; Davies, Noel W.; Gardiner, Michael G.; Marriott, Philip J.; Rühle, Christian P G; Tolhurst, Vicki-Anne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3799 - 3801
• a: 10.588 ± 0.004 Å
• b: 10.867 ± 0.005 Å
• c: 10.92 ± 0.004 Å
• α: 87.032 ± 0.011°
• β: 77.218 ± 0.013°
• γ: 66.155 ± 0.017°
• Cell volume: 1119.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0703
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.76207 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No