Information card for entry 1545057

Structure parameters

• Chemical name: 9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[<i>c</i>]chromene-3,2'-[1,3]dioxolane]
• Formula: C15 H15 F O3
• Calculated formula: C15 H15 F O3
• SMILES: Fc1ccc2COC3CC4(OCCO4)CC=C3c2c1
• Title of publication: 9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[<i>c</i>]chromene-3,2'-[1,3]dioxolane]
• Authors of publication: Ayswariya, I.; Rajalakshmi, P.; Krishnakumar, R.V.; Srinivasan, N.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 1
• Pages of publication: x170045
• a: 7.0373 ± 0.0004 Å
• b: 20.7068 ± 0.0014 Å
• c: 8.4725 ± 0.0006 Å
• α: 90°
• β: 92.088 ± 0.003°
• γ: 90°
• Cell volume: 1233.79 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0952
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes