Information card for entry 7131901

Structure parameters

• Chemical name: (Z)-2-(1-methyl-3-oxo-1-phenyl-3,10-dihydrofuro[3',4':5,6]pyrano[4,3-b]indol-5(1H)-ylidene)acetonitrile
• Formula: C22 H14 N2 O3
• Calculated formula: C22 H14 N2 O3
• Title of publication: Rh-Catalyzed Chemo-, Stereo- and Regioselective C-H Cascade Annulation of indolyloxopropanenitriles for Pyranoindoles
• Authors of publication: Kotipalli, Ramesh; Undamatla, Suribabu; Nanubolu, Jagadesh Babu; Maddi, Sridhar Reddy
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 9.8625 ± 0.0012 Å
• b: 24.973 ± 0.003 Å
• c: 7.5384 ± 0.001 Å
• α: 90°
• β: 111.143 ± 0.004°
• γ: 90°
• Cell volume: 1731.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No