Information card for entry 2004575

Structure parameters

• Chemical name: Butyl 4-[4'-(4"-n-octyloxybenzoyloxy)benzylidene]aminobenzoate
• Formula: C33 H39 N O5
• Calculated formula: C33 H34 N O5
• SMILES: O(C(=O)c1ccc(/N=C/c2ccc(OC(=O)c3ccc(OCCCCCCCC)cc3)cc2)cc1)CCCC
• 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: 9.577 ± 0.002 Å
• b: 34.681 ± 0.006 Å
• c: 9.562 ± 0.003 Å
• α: 97.43 ± 0.02°
• β: 108.28 ± 0.02°
• γ: 83.74 ± 0.02°
• Cell volume: 2982.4 ± 1.3 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: 0.104
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections: 0.5923
• Weighted residual factors for significantly intense reflections: 0.2223
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No