Information card for entry 4024188

Structure parameters

• Formula: C22 H21 N3 O6
• Calculated formula: C22 H21 N3 O6
• SMILES: O=C(OC)C1(C(N2N(C(=O)N(C2=O)c2ccccc2)C1)c1ccc(cc1)C)C(=O)OC
• Title of publication: GaCl~3~-Catalyzed Insertion of Diazene Derivatives into the Cyclopropane Ring
• Authors of publication: Vadim S. Korotkov; Oleg V. Larionov; Anja Hofmeister; Jörg Magull; Armin de Meijere
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 7504 - 7510
• a: 9.1054 ± 0.0004 Å
• b: 15.0233 ± 0.0009 Å
• c: 15.1878 ± 0.0007 Å
• α: 90°
• β: 99.518 ± 0.003°
• γ: 90°
• Cell volume: 2048.99 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No