Information card for entry 7158665

Structure parameters

• Chemical name: N,N,1-trimethyl-4-(naphthalen-1-yl)-1,2,3,4-tetrahydrobenzo[h]quinazolin-10-amine
• Formula: C25 H25 N3
• Calculated formula: C25 H25 N3
• Title of publication: peri-Interactions in 1,8-bis(dimethylamino)naphthalene ortho-ketimine cations facilitate [1,5]-hydride shift: selective synthesis of 1,2,3,4-tetrahydrobenzo[h]quinazolines
• Authors of publication: Mikshiev, Vladimir Y.; Tolstoy, Peter; Puzyk, Aleksandra M.; Kirichenko, Sergey O.; Antonov, Alexander S.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 8.974 ± 0.0003 Å
• b: 10.1567 ± 0.0003 Å
• c: 11.2275 ± 0.0003 Å
• α: 72.713 ± 0.002°
• β: 89.359 ± 0.002°
• γ: 80.928 ± 0.002°
• Cell volume: 964.2 ± 0.05 ų
• Cell temperature: 99.8 ± 0.9 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No