Information card for entry 7107764

Structure parameters

• Formula: C30 H26 Cl2 O
• Calculated formula: C30 H26 Cl2 O
• SMILES: Clc1ccc2oc(c3c(c2c1)c(c1ccc(Cl)cc1)c(c3CCC)CCC)c1ccccc1
• Title of publication: Generation of cyclopenta[c]chromenes via a palladium-catalyzed reaction of 2-alkynylphenol with 2-alkynylvinyl bromide
• Authors of publication: Huanhuan Wang; Yong Luo; Biao Zhu; Jie Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5581
• a: 10.012 ± 0.004 Å
• b: 10.685 ± 0.004 Å
• c: 11.953 ± 0.004 Å
• α: 102.786 ± 0.004°
• β: 91.396 ± 0.005°
• γ: 100.23 ± 0.005°
• Cell volume: 1224.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No