Information card for entry 2013258

Structure parameters

• Formula: C18 H14 N2 O2
• Calculated formula: C18 H14 N2 O2
• SMILES: Oc1ccccc1C(=O)c1c(n2CC=Cc2c1)c1[nH]ccc1
• Title of publication: 6-(2-Hydroxybenzoyl)-5-(pyrrol-2-yl)-3<i>H</i>-pyrrolizine
• Authors of publication: Dey, Sankar Prasad; Dey, Dilip Kumar; Mallik, Asok Kumar; Dahlenburg, Lutz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o321 - o322
• a: 8.6868 ± 0.0007 Å
• b: 22.0328 ± 0.0013 Å
• c: 7.592 ± 0.003 Å
• α: 90°
• β: 104.407 ± 0.016°
• γ: 90°
• Cell volume: 1407.4 ± 0.6 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes