Information card for entry 2004574

Structure parameters

• Chemical name: Ethyl 4-[4'-(4"-n-octyloxybenzoyloxy)benzylidene]aminobenzoate
• Formula: C31 H35 N O5
• Calculated formula: C31 H35 N O5
• SMILES: O(C(=O)c1ccc(/N=C/c2ccc(OC(=O)c3ccc(OCCCCCCCC)cc3)cc2)cc1)CC
• Title of publication: Ethyl and Butyl 4-[4-(4-<i>n</i>-Octyloxybenzoyloxy)benzylidene]aminobenzoates
• Authors of publication: Kurogoshi, S.; Hori, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 660 - 663
• a: 32.686 ± 0.004 Å
• b: 4.094 ± 0.005 Å
• c: 10.257 ± 0.007 Å
• α: 90°
• β: 95.08 ± 0.03°
• γ: 90°
• Cell volume: 1367.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections: 0.872
• Weighted residual factors for significantly intense reflections: 0.1937
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.014
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No