Information card for entry 7113430

Structure parameters

• Formula: C41 H31 O3 P
• Calculated formula: C41 H31 O3 P
• SMILES: P(=O)(c1c2C(Oc3ccccc3c2c(c2ccccc12)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O
• Title of publication: Access to 6H-naphtho[2,3-c]chromenes by a palladium-catalyzed reaction of 2-haloaryl allene with 2-alkynylphenol
• Authors of publication: Xiaolin Pan; Mo Chen; Liangqing Yao; Jie Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5891
• a: 16.0608 ± 0.0016 Å
• b: 11.825 ± 0.0012 Å
• c: 17.8998 ± 0.0018 Å
• α: 90°
• β: 112.165 ± 0.002°
• γ: 90°
• Cell volume: 3148.3 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No