Information card for entry 2008487

Structure parameters

• Chemical name: 5,5a,6,9,9a-pentahydro-5-hydroxy-6,9-methano-4-methoxyfluoreno[ 2,3-d]furan
• Formula: C17 H16 O3
• Calculated formula: C17 H16 O3
• SMILES: o1c2cc3c(c(OC)c2cc1)[C@@H](O)[C@H]1[C@H]2C=C[C@@H]([C@@H]31)C2.o1c2cc3c(c(OC)c2cc1)[C@H](O)[C@@H]1[C@@H]2C=C[C@H]([C@H]31)C2
• Title of publication: 5a,6,9,9a-Tetrahydro-4-hydroxy-6,9-methano-5<i>H</i>-fluoreno[2,3-<i>b</i>]furan-5-one and 5a,6,9,9a-tetrahydro-6,9-methano-4-methoxy-5<i>H</i>-fluoreno[2,3-<i>b</i>]furan-5-ol
• Authors of publication: Chinnakali, Kandasamy; Fun, Hoong-Kun; Mal, Dipakranjan; Bandopadhyay, Mousumi; Datta, Kalyani; Nigam, Gur Dayal
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 774 - 776
• a: 9.8318 ± 0.0001 Å
• b: 9.9472 ± 0.0002 Å
• c: 14.2471 ± 0.0003 Å
• α: 73.852 ± 0.008°
• β: 86.554 ± 0.009°
• γ: 78.916 ± 0.001°
• Cell volume: 1313.38 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No