Information card for entry 4027673

Structure parameters

• Formula: C14 H20 N2 O2
• Calculated formula: C14 H20 N2 O2
• SMILES: ON1C(c2c(CC1)cccc2)C(=O)NC(C)(C)C
• Title of publication: Chlorosilane-Promoted Addition Reaction of Isocyanides to 3,4-Dihydroisoquinoline N-Oxides
• Authors of publication: Takahiro Soeta; Shuhei Fujinami; Yutaka Ukaji
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 9878 - 9883
• a: 16.439 ± 0.002 Å
• b: 8.9834 ± 0.0007 Å
• c: 18.551 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2739.6 ± 0.5 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No