Information card for entry 7133230

Structure parameters

• Formula: C24 H18 O5
• Calculated formula: C24 H18 O5
• Title of publication: An organocatalytic domino annulation approach <i>via</i> C(sp²)-OMe cleavage to unlock the synthesis of pyranochromenones enabled by HFIP.
• Authors of publication: Singh, Sanjay; Sharma, Pragya; Dutta, Sayantan; Vishwakarma, Rahul; Hazra, Chinmoy K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 56
• Pages of publication: 7200 - 7203
• a: 8.3038 ± 0.0018 Å
• b: 11.289 ± 0.003 Å
• c: 11.546 ± 0.003 Å
• α: 63.736 ± 0.01°
• β: 87.201 ± 0.01°
• γ: 78.91 ± 0.009°
• Cell volume: 951.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.1154
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0375
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No