Information card for entry 2200097

Structure parameters

• Formula: C26 H33 N O3
• Calculated formula: C26 H33 N O3
• SMILES: N#Cc1ccc(OC(=O)c2ccc(OCCCCCCCCCCCC)cc2)cc1
• Title of publication: 4-Cyanophenyl 4-<i>n</i>-dodecanyloxybenzoate
• Authors of publication: Kubo, Kanji; Mori, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: o113 - o115
• a: 11.031 ± 0.005 Å
• b: 16.639 ± 0.005 Å
• c: 6.813 ± 0.005 Å
• α: 95.381 ± 0.005°
• β: 94.53 ± 0.005°
• γ: 104.686 ± 0.005°
• Cell volume: 1197.4 ± 1.1 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: 0.257
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes