Information card for entry 2216105

Structure parameters

• Common name: 1-(Ylomethyl)cyclopentyl 1',2'-phenylene orthocarbonate
• Chemical name: 1,4,6,13-Tetraoxa-2,3-benzodispiro[4.1.4.2]tridecane cyclopentanespiro-4'-(1,3-dioxolane)-2'-spiro-2''-1,3-benzodioxole]
• Formula: C13 H14 O4
• Calculated formula: C13 H14 O4
• SMILES: O1C2(OC3(C1)CCCC3)Oc1c(O2)cccc1
• Title of publication: 1-(Ylomethyl)cyclopentyl 1',2'-phenylene orthocarbonate
• Authors of publication: Betz, Richard; Klüfers, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4300 - o4300
• a: 21.3198 ± 0.0005 Å
• b: 6.1626 ± 0.0002 Å
• c: 8.6023 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1130.22 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes