Information card for entry 4034426

Structure parameters

• Formula: C31 H29 N2 O
• Calculated formula: C31 H30 N2 O
• SMILES: n1c(c2c(c3c4ccccc4CCc13)CCc1c2cccc1)c1c(O)cc(cc1)N(CC)CC
• 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: 32.134 ± 0.004 Å
• b: 10.0646 ± 0.0011 Å
• c: 17.425 ± 0.002 Å
• α: 90°
• β: 122.84°
• γ: 90°
• Cell volume: 4734.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No