Information card for entry 2005983

Structure parameters

• Formula: C14 H10 N2 O2
• Calculated formula: C14 H10 N2 O2
• SMILES: CCc1c2oc(=O)c(cc2c2n1cccc2)C#N
• Title of publication: A 2<i>H</i>-Pyrano[3,2-<i>a</i>]indolizine Derivative
• Authors of publication: Kakehi, A.; Kitajima, K.; Ito, S.; Matsubara, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 353 - 355
• a: 9.095 ± 0.003 Å
• b: 9.16 ± 0.003 Å
• c: 8.189 ± 0.002 Å
• α: 101.9 ± 0.02°
• β: 101.54 ± 0.02°
• γ: 59.34 ± 0.02°
• Cell volume: 570.6 ± 0.3 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.84
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No