Information card for entry 7129758

Structure parameters

• Formula: C40 H38 N2 O
• Calculated formula: C40 H38 N2 O
• SMILES: O1C(=C(c2c(C1N(Cc1ccccc1)Cc1ccccc1)cccc2)CN(Cc1ccccc1)Cc1ccccc1)C=C
• Title of publication: Silver-catalyzed chemodivergent assembly of aminomethylated isochromenes and naphthols.
• Authors of publication: Yu, Bangkui; Huang, Renbin; Li, Renren; Zhang, Haocheng; Huang, Hanmin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 24
• Pages of publication: 3969 - 3972
• a: 11.3021 ± 0.0008 Å
• b: 11.3449 ± 0.0007 Å
• c: 15.1031 ± 0.001 Å
• α: 89.431 ± 0.005°
• β: 68.393 ± 0.007°
• γ: 64.454 ± 0.007°
• Cell volume: 1598.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No