Information card for entry 7238997

Structure parameters

• Common name: macrocycle
• Chemical name: (4E,14E)-2,7-Dioxa-15-methoxycarbonyltricyclo[15.3.0.08,13] icosane-1(17),4,8(13),9,11,14-hexaen- 18-one
• Formula: C20 H20 O5
• Calculated formula: C20 H20 O5
• Title of publication: The Baylis–Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes
• Authors of publication: Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 25
• Pages of publication: 9629
• a: 9.5864 ± 0.0007 Å
• b: 12.2835 ± 0.0009 Å
• c: 14.5863 ± 0.001 Å
• α: 90°
• β: 97.979 ± 0.001°
• γ: 90°
• Cell volume: 1701 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0955
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No