Information card for entry 1543397

Structure parameters

• Formula: C26 H20 Br N3
• Calculated formula: C26 H20 Br N3
• SMILES: Brc1c(N(C)C)c2c(cc1)ccc1c2nc(nc1c1ccccc1)c1ccccc1
• Title of publication: Tandem Synthesis of 10-Dimethylaminobenzo[h]quinazolines from 2-Ketimino-1,8-bis(dimethylamino)naphthalenes via Nucleophilic Replacement of the Unactivated Aromatic NMe2 Group.
• Authors of publication: Mikshiev, Vladimir Y.; Antonov, Alexander S.; Pozharskii, Alexander F.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2872 - 2875
• a: 20.8133 ± 0.0011 Å
• b: 12.4608 ± 0.0006 Å
• c: 16.5347 ± 0.0008 Å
• α: 90°
• β: 106.576 ± 0.001°
• γ: 90°
• Cell volume: 4110.1 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No