Information card for entry 7225586

Structure parameters

• Formula: C29 H22 N2 O2
• Calculated formula: C29 H22 N2 O2
• SMILES: n1c(/C=C/c2ccc(cc2)N(=O)=O)c2c(c3c1CCc1c3cccc1)CCc1c2cccc1
• Title of publication: Highly emissive, naked-eye solvatochromic probe based on styryl tetrahydrodibenzo[a,i]phenanthridine for acidochromic applications
• Authors of publication: Balijapalli, Umamahesh; Manickam, Saravanakumar; Thiyagarajan, Manojkumar Dhanthalu; Iyer, Sathiyanarayanan Kulathu
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 63
• Pages of publication: 58549
• a: 7.6171 ± 0.0009 Å
• b: 21.66 ± 0.003 Å
• c: 13.267 ± 0.0017 Å
• α: 90°
• β: 101.311 ± 0.004°
• γ: 90°
• Cell volume: 2146.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No