Information card for entry 1513376

Structure parameters

• Formula: C19 H21 Br N2 O3
• Calculated formula: C19 H21 Br N2 O3
• SMILES: BrCCCCCOc1ccc(cc1)/N=N/c1ccc(cc1)C(=O)OC
• Title of publication: Photoresponsive smectic liquid crystalline multipods and hyperbranched azo polymers.
• Authors of publication: Nardele, Chinmay G.; Asha, S. K.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 6
• Pages of publication: 1670 - 1684
• a: 6.5873 ± 0.0004 Å
• b: 15.1475 ± 0.001 Å
• c: 18.706 ± 0.0006 Å
• α: 80.57 ± 0.004°
• β: 87.305 ± 0.004°
• γ: 88.026 ± 0.005°
• Cell volume: 1838.57 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1141
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No