Information card for entry 4038712

Structure parameters

• Chemical name: methyl 7-carbamoyl-8-methyl-1,2,3,4,5,7,7a,8,12b,12c-decahydrocyclohepta[5,6] pyridazino[3,4-b]indole-12c-carboxylate
• Formula: C19 H24 N4 O3
• Calculated formula: C19 H24 N4 O3
• Title of publication: Synthesis of Polycyclic Fused Indoline Scaffolds through a Substrate-Guided Reactivity Switch.
• Authors of publication: Ciccolini, Cecilia; Mari, Giacomo; Gatti, Francesco G.; Gatti, Giuseppe; Giorgi, Gianluca; Mantellini, Fabio; Favi, Gianfranco
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 16.3776 ± 0.0009 Å
• b: 13.3941 ± 0.0006 Å
• c: 16.6146 ± 0.0008 Å
• α: 90°
• β: 92.047 ± 0.005°
• γ: 90°
• Cell volume: 3642.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No