Information card for entry 7239000

Structure parameters

• Common name: (7Z,17E)-2,10-Dioxa-18-methoxycarbonyltricyclo(18.3.0.011,16) tricosane-1(20),7,11(16),12,14,17-hexaen-21-one
• Chemical name: (7Z,17E)-2,10-Dioxa-18-methoxycarbonyltricyclo[18.3.0.011,16] tricosane-1(20),7,11(16),12,14,17-hexaen-21-one
• Formula: C23 H26 O5
• Calculated formula: C23 H26 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: 12.4423 ± 0.0016 Å
• b: 12.3999 ± 0.0016 Å
• c: 13.5967 ± 0.0018 Å
• α: 90°
• β: 97.19 ± 0.002°
• γ: 90°
• Cell volume: 2081.2 ± 0.5 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: 0.0865
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No