Information card for entry 2234894

Structure parameters

• Chemical name: <i>N</i>-(Anthracen-9-ylmethyl)adamantan-1-amine
• Formula: C25 H27 N
• Calculated formula: C25 H27 N
• SMILES: c1cccc2cc3ccccc3c(c12)CNC12CC3CC(CC(C1)C3)C2
• Title of publication: <i>N</i>-(Anthracen-9-ylmethyl)adamantan-1-amine
• Authors of publication: Fan, Wei-Qiang; Chen, Fu-Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1831
• a: 9.9546 ± 0.0004 Å
• b: 42.1921 ± 0.0019 Å
• c: 8.6133 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3617.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes