Information card for entry 7228620

Structure parameters

• Common name: 4-pentyloxybenzylidene-4'-chloroaniline
• Chemical name: 4-pentyloxybenzylidene-4'-chloroaniline
• Formula: C18 H20 Cl N O
• Calculated formula: C18 H20 Cl N O
• Title of publication: Structure and molecular packing in smectic BCr and Ad phases of Schiff base liquid crystal compounds through analyses of layer spacing, entropy and crystal structure
• Authors of publication: Yamamura, Yasuhisa; Murakoshi, Takahito; Iwagaki, Sakiko; Osiecka, Natalia; Galewski, Zbigniew; Saitoh, Hideki; Hishida, Mafumi; Massalska-Arodz, Maria; SAITO, Kazuya
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2017
• a: 19.3197 ± 0.0006 Å
• b: 8.699 ± 0.0002 Å
• c: 9.8963 ± 0.0003 Å
• α: 90°
• β: 92.2801 ± 0.0015°
• γ: 90°
• Cell volume: 1661.88 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No