Information card for entry 2217587

Structure parameters

• Common name: Norbornane-<i>exo</i>-<i>cis</i>-2,3-diyl 1',2'-phenylene orthocarbonate
• Chemical name: 4,7-methano-2,2'-spirobi[1,3-benzodioxole]
• Formula: C14 H14 O4
• Calculated formula: C14 H14 O4
• SMILES: O1C2(O[C@@H]3[C@H]1[C@H]1CC[C@@H]3C1)Oc1c(O2)cccc1
• Title of publication: Norbornane-<i>exo</i>-<i>cis</i>-2,3-diyl 1',2'-phenylene orthocarbonate
• Authors of publication: Betz, Richard; Klüfers, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o399 - o399
• a: 7.9125 ± 0.0003 Å
• b: 9.5545 ± 0.0005 Å
• c: 15.2813 ± 0.0006 Å
• α: 90°
• β: 101.49 ± 0.003°
• γ: 90°
• Cell volume: 1132.11 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes