Information card for entry 2212549

Structure parameters

• Chemical name: 1,4-Bis(1-naphthylmethyl)piperazine
• Formula: C26 H26 N2
• Calculated formula: C26 H26 N2
• SMILES: c1ccc2c(c1)c(ccc2)CN1CCN(CC1)Cc1cccc2c1cccc2
• Title of publication: 1,4-Bis(1-naphthylmethyl)piperazine
• Authors of publication: Kubo, Kanji; Yamamoto, Emi; Hayakawa, Akinori; Sakurai, Tadamitsu; Mori, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1347 - o1348
• a: 11.3 ± 0.004 Å
• b: 5.5286 ± 0.0018 Å
• c: 16.141 ± 0.005 Å
• α: 90°
• β: 106.856 ± 0.018°
• γ: 90°
• Cell volume: 965.1 ± 0.6 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes