Information card for entry 1503090

Structure parameters

• Formula: C21 H12 N2 O2
• Calculated formula: C21 H12 N2 O2
• SMILES: O=C1c2c(cccc2)C(=O)c2c1c1[nH]c(nc1cc2)c1ccccc1
• Title of publication: Specific recognition and sensing of CN- in sodium cyanide solution.
• Authors of publication: Saha, Sukdeb; Ghosh, Amrita; Mahato, Prasenjit; Mishra, Sandhya; Mishra, Sanjiv K.; Suresh, E.; Das, Satyabrata; Das, Amitava
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 3406 - 3409
• a: 15.444 ± 0.004 Å
• b: 7.4809 ± 0.0017 Å
• c: 14.862 ± 0.003 Å
• α: 90°
• β: 116.866 ± 0.004°
• γ: 90°
• Cell volume: 1531.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No