Information card for entry 7151009

Structure parameters

• Formula: C15 H15 N O4
• Calculated formula: C15 H15 N O4
• SMILES: o1c(nc(c1C)C=O)/C=C/c1cc(c(cc1)OC)OC
• Title of publication: Total synthesis of siphonazole and its O-methyl derivative, structurally unusual bis-oxazole natural products
• Authors of publication: Linder, Jörg; Blake, Alexander J.; Moody, Christopher J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 21
• Pages of publication: 3908 - 3916
• a: 8.342 ± 0.001 Å
• b: 5.8896 ± 0.0007 Å
• c: 26.712 ± 0.003 Å
• α: 90°
• β: 90.634 ± 0.002°
• γ: 90°
• Cell volume: 1312.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No