Information card for entry 7135296

Structure parameters

• Formula: C27 H27 Cl3 N2 O6
• Calculated formula: C27 H27 Cl3 N2 O6
• Title of publication: Azulenes exhibiting solid-state fluorescence: synthesis and photophysics of 2-aryl-6-pyrrolidinylazulenes.
• Authors of publication: Shoji, Taku; Ariga, Yukino; Ito, Daichi; Ito, Fuyuki; Hamasaki, Atom; Mori, Shigeki; Okujima, Tetsuo; Sekiguchi, Ryuta; Ito, Shunji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 98
• Pages of publication: 19481 - 19484
• a: 7.4109 ± 0.0003 Å
• b: 9.9848 ± 0.0006 Å
• c: 18.796 ± 0.0009 Å
• α: 96.494 ± 0.004°
• β: 99.614 ± 0.004°
• γ: 104.201 ± 0.004°
• Cell volume: 1312.01 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0884
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No