Information card for entry 7242939

Structure parameters

• Chemical name: 1-Dimethylamino-4,5-diphenylnaphthalene
• Formula: C24 H21 N
• Calculated formula: C24 H21 N
• SMILES: N(c1ccc(c2c(cccc12)c1ccccc1)c1ccccc1)(C)C
• Title of publication: Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints
• Authors of publication: Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 4500 - 4512
• a: 22.0584 ± 0.0007 Å
• b: 9.7183 ± 0.0002 Å
• c: 16.5596 ± 0.0004 Å
• α: 90°
• β: 99.142 ± 0.003°
• γ: 90°
• Cell volume: 3504.79 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No