Information card for entry 4036199

Structure parameters

• Formula: C22 H16 O2
• Calculated formula: C22 H16 O2
• SMILES: O1c2c(cccc2)C2(Oc3c(C=C2C1)cccc3)c1ccccc1
• Title of publication: Palladium-Catalyzed Tandem Carbene Migratory Insertion and Intramolecular Cyclization: Synthesis of Chromeno[4,3-b]chromene Compounds.
• Authors of publication: Shang, Xue Song; Li, Nian Tai; Siyang, Hai Xiao; Liu, Pei Nian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 9
• Pages of publication: 4808 - 4815
• a: 27.882 ± 0.003 Å
• b: 7.9855 ± 0.0009 Å
• c: 17.2024 ± 0.0019 Å
• α: 90°
• β: 123.328 ± 0.002°
• γ: 90°
• Cell volume: 3200.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No