Information card for entry 7238995

Structure parameters

• Common name: macrocycle
• Chemical name: (6Z,16E)-2,9-Dioxa-17-methoxycarbonyltricyclo[17.3.0.010,15]docosane-1(19),6,10(15),11,13,16-hexaen-20-one
• Formula: C22 H24 O5
• Calculated formula: C22 H24 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: 8.6741 ± 0.0009 Å
• b: 9.1126 ± 0.0009 Å
• c: 12.8419 ± 0.0011 Å
• α: 96.627 ± 0.007°
• β: 102.887 ± 0.008°
• γ: 106.395 ± 0.009°
• Cell volume: 931.84 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No