Information card for entry 7156451

Structure parameters

• Formula: C42 H29 N O7
• Calculated formula: C42 H29 N O7
• Title of publication: Novel π-extended hybrid xanthene dyes with two spirolactone rings for optoelectronic and biological applications.
• Authors of publication: Wang, Qing; Jiao, Xiaojie; Liu, Chang; Huang, Kun; He, Song; Zhao, Liancheng; Zeng, Xianshun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 41
• Pages of publication: 7609 - 7618
• a: 12.628 ± 0.0004 Å
• b: 12.0003 ± 0.0003 Å
• c: 26.2562 ± 0.0008 Å
• α: 90°
• β: 96.197 ± 0.003°
• γ: 90°
• Cell volume: 3955.6 ± 0.2 ų
• Cell temperature: 299.68 ± 0.1 K
• Ambient diffraction temperature: 299.68 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2989
• Weighted residual factors for all reflections included in the refinement: 0.315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No