Information card for entry 1505352

Structure parameters

• Common name: 3f(I)
• Chemical name: spiro[1,3-benzodioxine-2,1'-cyclohexane]
• Formula: C32 H30 O3
• Calculated formula: C32 H30 O3
• SMILES: C12(CCC(CC1)c1ccccc1)Oc1ccc(cc1C(c1ccccc1)(c1ccccc1)O2)OC
• Title of publication: Novel photolabile protecting group for carbonyl compounds.
• Authors of publication: Wang, Pengfei; Hu, Huayou; Wang, Yun
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 1533 - 1535
• a: 10.355 ± 0.002 Å
• b: 13.627 ± 0.003 Å
• c: 18.942 ± 0.004 Å
• α: 90.28 ± 0.03°
• β: 92.84 ± 0.03°
• γ: 110.76 ± 0.03°
• Cell volume: 2495.5 ± 1 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: 0.1333
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No