Information card for entry 1507890

Structure parameters

• Formula: C65.5 H67.5 O12
• Calculated formula: C64 H64 O12
• SMILES: O1Cc2cc3CCc4c3c(c(OC)c(c4)COCc3c(OC)c4c(OC)c(cc5CCc(c3)c45)COCc3cc4CCc5cc(c(OC)c(c3OC)c45)COCc3c(OC)c4c(OC)c(cc5CCc(c3)c45)C1)c2OC
• Title of publication: Synthesis of functionalized acenaphthenes and a new class of homooxacalixarenes.
• Authors of publication: AlHujran, Tayel A.; Dawe, Louise N.; Georghiou, Paris E.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 3530 - 3533
• a: 27.605 ± 0.0009 Å
• b: 27.605 ± 0.0009 Å
• c: 32.428 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24711.3 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2149
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No