Information card for entry 2017301

Structure parameters

• Chemical name: 4,4'-(Phenylmethylene)bis(6-allyl-3-chloro-2-methylaniline)
• Formula: C27 H28 Cl2 N2
• Calculated formula: C27 H28 Cl2 N2
• SMILES: C(c1c(c(c(c(c1)CC=C)N)C)Cl)(c1c(c(c(c(c1)CC=C)N)C)Cl)c1ccccc1
• Title of publication: Sterically shielded pyramidal amino groups in two 4,4'-(arylmethylene)bis(6-allyl-3-chloro-2-methylaniline) derivatives
• Authors of publication: Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o479 - o482
• a: 8.9868 ± 0.0002 Å
• b: 10.8718 ± 0.0004 Å
• c: 12.4359 ± 0.0004 Å
• α: 94.333 ± 0.002°
• β: 93.634 ± 0.003°
• γ: 102.49 ± 0.002°
• Cell volume: 1178.9 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0849
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes