Information card for entry 7133041

Structure parameters

• Formula: C16 H24 O2
• Calculated formula: C16 H24 O2
• SMILES: O=C1C2=C(O[C@@H]3[C@H]2CCCCCC3)CC(C)(C)C1.O=C1C2=C(O[C@H]3[C@@H]2CCCCCC3)CC(C)(C)C1
• Title of publication: Electrochemically enabled (3+2) cycloaddition of unbiased alkenes and <i>β</i>-dicarbonyls.
• Authors of publication: Suryawanshi, Sharad M.; Sahoo, Suman; Shaligram, Parth S.; Manna, Narugopal; Samanta, Ramesh C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 45
• Pages of publication: 5836 - 5839
• a: 10.399 ± 0.002 Å
• b: 13.561 ± 0.003 Å
• c: 9.888 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1394.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No