Information card for entry 1543396

Structure parameters

• Formula: C26 H21 N3
• Calculated formula: C26 H21 N3
• SMILES: n1c2c3c(N(C)C)cccc3ccc2c(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: 12.52 ± 0.0006 Å
• b: 11.4587 ± 0.0005 Å
• c: 13.5749 ± 0.0006 Å
• α: 90°
• β: 93.825 ± 0.001°
• γ: 90°
• Cell volume: 1943.16 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No