Information card for entry 7157055

Structure parameters

• Formula: C24 H22 N2 O
• Calculated formula: C24 H22 N2 O
• Title of publication: Rhodium-catalyzed C-H activation/annulation of amidines with 4-diazoisochroman-3-imines toward isochromeno[3,4-c]isoquinolines.
• Authors of publication: Xu, Shengbo; Qiao, Shanshan; Sun, Song; Yu, Jin-Tao; Cheng, Jiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 36
• Pages of publication: 8417 - 8424
• a: 28.608 ± 0.003 Å
• b: 28.608 ± 0.003 Å
• c: 11.5472 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8184.3 ± 1.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No