Information card for entry 7203443

Structure parameters

• Chemical name: 7a-Dimethylamino-5,6,7,7a-tetrahydro-4H-benzofuran-2-one
• Formula: C10 H15 N O2
• Calculated formula: C10 H15 N O2
• SMILES: O1C2(C(=CC1=O)CCCC2)N(C)C
• Title of publication: A direct, efficient synthesis of unsymmetrically substituted bis(arylidene)alkanones
• Authors of publication: Rosamilia, Anthony E.; Giarrusso, Marilena A.; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: Green Chemistry
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 1042
• a: 8.763 ± 0.0002 Å
• b: 10.924 ± 0.0002 Å
• c: 20.1019 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1924.29 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No