Information card for entry 7228621

Structure parameters

• Common name: 4-chlorobenzylidene-4'-pentyloxyaniline
• Chemical name: 4-chlorobenzylidene-4'-pentyloxyaniline
• Formula: C18 H20 Cl N O
• Calculated formula: C18 H20 Cl N O
• SMILES: c1(ccc(cc1)Cl)/C=N/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: 6.1002 ± 0.0003 Å
• b: 7.3335 ± 0.0004 Å
• c: 36.4538 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1630.79 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No