Information card for entry 1505338

Structure parameters

• Formula: C24 H20 N2 O3
• Calculated formula: C24 H20 N2 O3
• SMILES: O=C1N=N2=C(OC(C32CC3)(c2ccccc2)c2ccccc2)c2c1cccc2.O
• Title of publication: PhI(OAc)2 -mediated novel 1,3-dipolar cycloaddition of methylenecyclopropanes (MCPs), vinylidenecyclopropanes (VCPs), and methylenecyclobutane (MCB) with phthalhydrazide.
• Authors of publication: Liu, Le-Ping; Lu, Jian-Mei; Shi, Min
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1303 - 1306
• a: 9.0803 ± 0.0009 Å
• b: 21.286 ± 0.002 Å
• c: 9.9234 ± 0.0009 Å
• α: 90°
• β: 101.687 ± 0.002°
• γ: 90°
• Cell volume: 1878.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No