Information card for entry 1540425

Structure parameters

• Chemical name: (R,E)-4-methyl-2-((4-methyl-5-oxo-2,5- dihydrofuran-2-yloxy)methylene-1,2-dihydrocyclopenta[b]indol-3(4H)-one'
• Formula: C18 H14 N O4
• Calculated formula: C18 H14 N O4
• SMILES: O(/C=C1\Cc2c3c(n(c2C1=O)C)cccc3)[C@@H]1OC(=O)C(=C1)C
• Title of publication: Stereochemical Assignment of Strigolactone Analogues Confirms Their Selective Biological Activity.
• Authors of publication: Artuso, Emma; Ghibaudi, Elena; Lace, Beatrice; Marabello, Domenica; Vinciguerra, Daniele; Lombardi, Chiara; Koltai, Hinanit; Kapulnik, Yoram; Novero, Mara; Occhiato, Ernesto G.; Scarpi, Dina; Parisotto, Stefano; Deagostino, Annamaria; Venturello, Paolo; Mayzlish-Gati, Einav; Bier, Ariel; Prandi, Cristina
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 11
• Pages of publication: 2624 - 2633
• a: 6.8797 ± 0.0009 Å
• b: 17.32 ± 0.002 Å
• c: 26.023 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3100.8 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No