Information card for entry 2001653

Structure parameters

• Formula: C14 H11 N O3
• Calculated formula: C14 H11 N O3
• SMILES: CC(=O)c1cc2c(oc1=O)cc1n2c(C)ccc1
• Title of publication: Structure of a pyrano[2,3-<i>b</i>]indolizine
• Authors of publication: Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1230 - 1232
• a: 8.311 ± 0.003 Å
• b: 10.552 ± 0.003 Å
• c: 7.508 ± 0.005 Å
• α: 97.45 ± 0.04°
• β: 115.59 ± 0.03°
• γ: 104.36 ± 0.02°
• Cell volume: 553.8 ± 0.5 ų
• Cell temperature: 293 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: 0.044
• Weighted residual factors for significantly intense reflections: 0.055
• 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