Information card for entry 2207191

Structure parameters

• Chemical name: 1,4-Bis(imidazol-1-ylmethyl)naphthalene
• Formula: C18 H16 N4
• Calculated formula: C18 H16 N4
• SMILES: n1(Cc2ccc(c3ccccc23)Cn2ccnc2)cncc1
• Title of publication: 1,4-Bis(imidazol-1-ylmethyl)naphthalene
• Authors of publication: Lin-Hai Jing; Da-Bin Qin; Huan-Xia Zhang; Shao-Jin Gu; Gang Lei; Zhi-Hua Mao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3923 - o3924
• a: 8.222 ± 0.004 Å
• b: 19.541 ± 0.008 Å
• c: 9.956 ± 0.003 Å
• α: 90°
• β: 114.31 ± 0.03°
• γ: 90°
• Cell volume: 1457.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1489
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes