Information card for entry 2006941

Structure parameters

• Chemical name: (Z)-3(H)-piperidinomethin-1,4-benzodioxin-2-one
• Formula: C14 H15 N O3
• Calculated formula: C14 H15 N O3
• SMILES: O=C1Oc2ccccc2OC/1=C\N1CCCCC1
• Title of publication: 3-[(<i>Z</i>)-Piperidin-1-ylmethylidene]-2,3-dihydro-1,4-benzodioxan-2-one
• Authors of publication: Bozzo, Concepción; Pujol, Maria D.; Solans, Xavier; Font-Bardia, Mercè
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 79 - 81
• a: 8.994 ± 0.003 Å
• b: 16.534 ± 0.004 Å
• c: 9.428 ± 0.002 Å
• α: 90°
• β: 118.11 ± 0.03°
• γ: 90°
• Cell volume: 1236.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections: 0.312
• Weighted residual factors for significantly intense reflections: 0.197
• Goodness-of-fit parameter for all reflections: 0.985
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No