Information card for entry 7135299

Structure parameters

• Formula: C32 H29.34 N O4.17 S
• Calculated formula: C32 H29.342 N O4.171 S
• 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: 10.2097 ± 0.0004 Å
• b: 12.1202 ± 0.0004 Å
• c: 21.9452 ± 0.0008 Å
• α: 90°
• β: 100.603 ± 0.004°
• γ: 90°
• Cell volume: 2669.21 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No