Information card for entry 2008683

Structure parameters

• Chemical name: 9a-propargyl-1,2,3,10-tetrahydrofluorene-3,9-dione
• Formula: C16 H12 O2
• Calculated formula: C16 H12 O2
• SMILES: O=C1C=C2C(CC1)(C(=O)c1ccccc21)CC#C
• Title of publication: 9a-Propargyl-1,2,3,9-tetrahydrofluorene-3,9-dione
• Authors of publication: Kandasamy Chinnakali; Hoong-Kun Fun; Desikan Rajagopal; Sambasivam Swaminathan; Kamaraj Sriraghavan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1135 - 1136
• a: 6.421 ± 0.0002 Å
• b: 16.6897 ± 0.0003 Å
• c: 11.7575 ± 0.0003 Å
• α: 90°
• β: 98.738 ± 0.001°
• γ: 90°
• Cell volume: 1245.36 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No