Information card for entry 7053978

Structure parameters

• Formula: C23 H30 F3 N5 O6 S
• Calculated formula: C23 H30 F3 N5 O6 S
• Title of publication: Towards sensory Langmuir monolayers consisting of macrocyclic pentaaminoanthraquinone
• Authors of publication: Ranyuk, Elena; Ermakova, Elizaveta V.; Bovigny, Laura; Meyer, Michel; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Rousselin, Yoann; Tsivadze, Aslan Yu.; Arslanov, Vladimir V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 1
• Pages of publication: 317
• a: 7.1884 ± 0.0002 Å
• b: 11.2777 ± 0.0003 Å
• c: 16.3837 ± 0.0006 Å
• α: 107.004 ± 0.002°
• β: 93.659 ± 0.002°
• γ: 102.998 ± 0.001°
• Cell volume: 1225.57 ± 0.07 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1635
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2758
• Weighted residual factors for all reflections included in the refinement: 0.3203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα~1~
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No