Information card for entry 7055040

Structure parameters

• Formula: C66 H88 N4 O6
• Calculated formula: C66 H88 N4 O6
• Title of publication: Planar and distorted indigo as the core motif in novel chromophoric liquid crystals
• Authors of publication: Porada, Jan H.; Neudörfl, Jörg-M.; Blunk, Dirk
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 8291
• a: 54.957 ± 0.002 Å
• b: 9.4249 ± 0.0005 Å
• c: 23.8226 ± 0.0008 Å
• α: 90°
• β: 110.27 ± 0.004°
• γ: 90°
• Cell volume: 11575.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No