Information card for entry 7239002

Structure parameters

• Common name: macrocycle
• Chemical name: (4E,15E)-10,10-Dimethyl-2,7-dioxa-15-methoxycarbonyltricyclo[15.3.1.08,13]henicosane-1(21),4,-8(13),15,17,19-hexaen-12-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: 12.1101 ± 0.001 Å
• b: 12.3001 ± 0.001 Å
• c: 13.492 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2009.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No