Information card for entry 2311871

Structure parameters

• Common name: PLZ03102016
• Chemical name: Methyl 8-[4-(1<i>H</i>-benzimidazol-2-yl)phenoxy]octanoate octan-1-ol monosolvate
• Formula: C30 H44 N2 O4
• Calculated formula: C30 H44 N2 O4
• Title of publication: Synthesis and characterization of a novel long-alkyl-chain ester-substituted benzimidazole gelator and its octan-1-ol solvate.
• Authors of publication: Geiger, H. Cristina; Zick, Patricia L.; Roberts, William R.; Geiger, David K.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 4
• Pages of publication: 350 - 356
• a: 9.2021 ± 0.0017 Å
• b: 10.2022 ± 0.0016 Å
• c: 16.532 ± 0.003 Å
• α: 74.49 ± 0.006°
• β: 78.452 ± 0.006°
• γ: 76.849 ± 0.006°
• Cell volume: 1440.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No