Information card for entry 2200136

Structure parameters

• Chemical name: 4-Cyanophenyl 4-n-decanyloxybenzoate
• Formula: C24 H29 N O3
• Calculated formula: C24 H29 N O3
• SMILES: N#Cc1ccc(OC(=O)c2ccc(OCCCCCCCCCC)cc2)cc1
• Title of publication: 4-Cyanophenyl 4-<i>n</i>-decanyloxybenzoate
• Authors of publication: Kubo, Kanji; Mori, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: o318 - o320
• a: 10.9982 ± 0.0017 Å
• b: 14.85 ± 0.002 Å
• c: 6.7625 ± 0.0006 Å
• α: 96.864 ± 0.009°
• β: 93.694 ± 0.009°
• γ: 81.945 ± 0.012°
• Cell volume: 1084.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2706
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.3029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No