Information card for entry 1551630

Structure parameters

• Formula: C20 H23 N O2
• Calculated formula: C20 H23 N O2
• SMILES: OC(=O)c1ccc(cc1)/C=N/c1ccc(cc1)CCCCCC
• Title of publication: Mesomorphic Property and Crystal Structure of 4-Carboxybenzylidene-4′-hexylaniline
• Authors of publication: KUBO, Kanji; MATSUMOTO, Taisuke; IDETA, Keiko; UJIIE, Seiji
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2015
• Journal volume: 31
• Journal issue: 0
• Pages of publication: 39
• a: 6.425 ± 0.0018 Å
• b: 8.495 ± 0.003 Å
• c: 16.665 ± 0.006 Å
• α: 93.09 ± 0.02°
• β: 98.399 ± 0.018°
• γ: 110.373 ± 0.014°
• Cell volume: 838.1 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No