Information card for entry 2008128

Structure parameters

• Common name: Flemiculosin
• Chemical name: 6-cinnamoyl-5-hydroxy-2,2,8,8-tetramethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran
• Formula: C25 H24 O4
• Calculated formula: C25 H24 O4
• SMILES: O1C(C=Cc2c(c(C(=O)/C=C/c3ccccc3)c3OC(C=Cc3c12)(C)C)O)(C)C
• Title of publication: Flemiculosin, a novel chalcone
• Authors of publication: Bhattacharyya, Kinkini; Mazumdar, Sunil Kumar; Bocelli, Gabriele; Cantoni, Andrea; Ray, Anil B; Neogi, Partha; Mazumdar, Gauri
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 215 - 217
• a: 12.316 ± 0.002 Å
• b: 9.606 ± 0.002 Å
• c: 18.296 ± 0.003 Å
• α: 90°
• β: 103.77 ± 0.02°
• γ: 90°
• Cell volume: 2102.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections: 0.2302
• Weighted residual factors for significantly intense reflections: 0.1838
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes