Information card for entry 2204112

Structure parameters

• Chemical name: 2,5-bis(1-piperidinylmethyl)benzene-1,4-diol
• Formula: C18 H28 N2 O2
• Calculated formula: C18 H28 N2 O2
• SMILES: Oc1cc(CN2CCCCC2)c(cc1CN1CCCCC1)O
• Title of publication: 2,5-Bis(1-piperidinylmethyl)benzene-1,4-diol
• Authors of publication: Dongyan Yuan; Mingjie Zhang; Zhaohui Pan; Penggao Ma
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1320 - o1321
• a: 6.372 ± 0.002 Å
• b: 8.184 ± 0.003 Å
• c: 8.649 ± 0.003 Å
• α: 72.349 ± 0.005°
• β: 81.745 ± 0.006°
• γ: 80.865 ± 0.005°
• Cell volume: 422.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No