Information card for entry 1507740

Structure parameters

• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: o1c2CCCCc2c2c1c1c(c(OCOC)ccc1)c(O)c2
• Title of publication: Studies toward the synthesis of the epoxykinamycin FL-120B': discovery of a decarbonylative photocyclization.
• Authors of publication: Scully, Stephen S.; Porco, Jr, John A
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2646 - 2649
• a: 17.4558 ± 0.0005 Å
• b: 4.8179 ± 0.0001 Å
• c: 17.8594 ± 0.0005 Å
• α: 90°
• β: 108.199 ± 0.001°
• γ: 90°
• Cell volume: 1426.85 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No