Information card for entry 7238999

Structure parameters

• Common name: macrocycle
• Chemical name: (4E,16E)-11,11-Dimethyl-2,8-dioxa-16-methoxycarbonyltricyclo[16.4.0.09,14]docosane-1(18),4,9(14),16,19,-21-hexaen-13-one
• Formula: C24 H28 O5
• Calculated formula: C24 H28 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: 8.4362 ± 0.0009 Å
• b: 10.6638 ± 0.0012 Å
• c: 12.5335 ± 0.0014 Å
• α: 76.146 ± 0.002°
• β: 79.366 ± 0.002°
• γ: 84.811 ± 0.002°
• Cell volume: 1074.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0954
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No