Information card for entry 1568655

Structure parameters

• Chemical name: compound 12O-AzNO2-PhO12
• Formula: C40 H59 N O4
• Calculated formula: C40 H59 N O4
• Title of publication: Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes <i>via</i> lateral and core substitution.
• Authors of publication: Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine
• Journal of publication: Soft matter
• Year of publication: 2023
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 2397 - 2406
• a: 4.0571 ± 0.0002 Å
• b: 32.9255 ± 0.0013 Å
• c: 42.2251 ± 0.0016 Å
• α: 110.788 ± 0.002°
• β: 91.124 ± 0.002°
• γ: 91.507 ± 0.002°
• Cell volume: 5269 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1483
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No