Information card for entry 2001231

Structure parameters

• Formula: C13 H13 N O2
• Calculated formula: C13 H13 N O2
• SMILES: O=c1cc(C)c2c(o1)cc1c(c2)CCCN1
• Title of publication: 6,7,8,9-Tetrahydro-4-methyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one
• Authors of publication: Jasinski, J. P.; Woudenberg, R. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1965 - 1967
• a: 9.094 ± 0.002 Å
• b: 9.078 ± 0.002 Å
• c: 6.967 ± 0.002 Å
• α: 101.25 ± 0.02°
• β: 106.99 ± 0.02°
• γ: 76.48 ± 0.02°
• Cell volume: 529.8 ± 0.2 ų
• Cell temperature: 23 K
• Ambient diffraction temperature: 23 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: 0.0612
• Weighted residual factors for significantly intense reflections: 0.0707
• Goodness-of-fit parameter for significantly intense reflections: 2.749
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No