Information card for entry 7155562

Structure parameters

• Formula: C20 H16 N2 O
• Calculated formula: C20 H16 N2 O
• SMILES: [nH]1c2c(c(c3ccc(OC)cc3)c1C#N)CCc1ccccc21
• Title of publication: Synthesis of fused cyanopyrroles and spirocyclopropanes via addition of N-ylides to chalconimines.
• Authors of publication: Midya, Siba Prasad; Gopi, Elumalai; Satam, Nishikant; Namboothiri, Irishi N. N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 3616 - 3627
• a: 7.199 ± 0.003 Å
• b: 13.738 ± 0.005 Å
• c: 30.836 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3050 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No