Information card for entry 4034427

Structure parameters

• Formula: C27 H21 N O
• Calculated formula: C27 H21 N O
• SMILES: c12CCc3ccccc3c1c1CCc3ccccc3c1c(c1ccccc1O)n2
• Title of publication: (Tetrahydrodibenzo[<i>a</i>,<i>i</i>]phenanthridin-5-yl)phenol as a Fluorescent Probe for the Detection of Aniline.
• Authors of publication: Balijapalli, Umamahesh; Manickam, Saravanakumar; Thirumoorthy, Krishnan; Natesan Sundaramurthy, Karthikeyan; Sathiyanarayanan, Kulathu Iyer
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 18
• Pages of publication: 11513 - 11523
• a: 10.06 ± 0.005 Å
• b: 12.876 ± 0.005 Å
• c: 15.353 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.971 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1945.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No