Information card for entry 4514091

Structure parameters

• Formula: C25 H19 N O2
• Calculated formula: C25 H19 N O2
• Title of publication: Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.
• Authors of publication: Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.
• Journal of publication: ACS catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 3668 - 3675
• a: 9.8574 ± 0.0004 Å
• b: 10.5363 ± 0.0004 Å
• c: 19.098 ± 0.0006 Å
• α: 83.974 ± 0.003°
• β: 85.964 ± 0.003°
• γ: 69.875 ± 0.004°
• Cell volume: 1850.88 ± 0.13 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: 0.0795
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No