Information card for entry 7228622

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
• SMILES: c1(ccc(cc1)Cl)/N=C/c1ccc(cc1)OCCCCC
• 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: 18.4072 ± 0.0007 Å
• b: 8.61246 ± 0.00016 Å
• c: 9.9664 ± 0.0002 Å
• α: 93.7782 ± 0.0016°
• β: 90.5052 ± 0.0014°
• γ: 95.6436 ± 0.001°
• Cell volume: 1568.72 ± 0.07 ų
• Cell temperature: 106 ± 1 K
• Ambient diffraction temperature: 106 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2945
• Weighted residual factors for all reflections included in the refinement: 0.2983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 1.5412 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No