Information card for entry 2200148

Structure parameters

• Chemical name: 6,9-Methano-4-methyl-3a,4,5a,6,9,10-hexahydro-5-oxa-1H,3H-furano[3,4-c]- isoindol-3-one
• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: O1C[C@]23[C@H](ON([C@@H]2C1=O)C)[C@H]1C=C[C@@H]3C1.O1C[C@@]23[C@@H](ON([C@H]2C1=O)C)[C@@H]1C=C[C@H]3C1
• Title of publication: 6,9-Methano-4-methyl-3a,4,5a,6,9,10-hexahydro-5-oxa-1<i>H</i>,3<i>H</i>-furano[3,4-<i>c</i>]isoindol-3-one
• Authors of publication: Tam, William; Tranmer, Geoffrey K.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o269 - o270
• a: 8.6209 ± 0.0002 Å
• b: 13.9266 ± 0.0004 Å
• c: 16.4518 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1975.2 ± 0.1 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.06
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes