Information card for entry 1544286

Structure parameters

• Formula: C23 H21 N O
• Calculated formula: C23 H21 N O
• Title of publication: The Aryne [2,3] Stevens Rearrangement.
• Authors of publication: Roy, Tony; Thangaraj, Manikandan; Kaicharla, Trinadh; Kamath, Rupa V.; Gonnade, Rajesh G.; Biju, Akkattu T.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 5428
• a: 10.2062 ± 0.0006 Å
• b: 13.2507 ± 0.0008 Å
• c: 13.9258 ± 0.0008 Å
• α: 91.429 ± 0.002°
• β: 104.805 ± 0.002°
• γ: 98.033 ± 0.002°
• Cell volume: 1799.3 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No