Information card for entry 2224830

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dineopentylnaphthalene-1,8-diamine
• Formula: C20 H30 N2
• Calculated formula: C20 H30 N2
• SMILES: N(CC(C)(C)C)c1cccc2cccc(NCC(C)(C)C)c12
• Title of publication: <i>N</i>,<i>N</i>'-Dineopentylnaphthalene-1,8-diamine
• Authors of publication: Guzei, Ilia A.; Spencer, Lara C.; Hill, Nicholas J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o42 - o43
• a: 6.0425 ± 0.0014 Å
• b: 16.196 ± 0.003 Å
• c: 18.861 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1845.8 ± 0.7 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes