Information card for entry 1504978

Structure parameters

• Formula: C30 H28
• Calculated formula: C30 H28
• SMILES: C(=C1CC(c2c1cc1c(c2)cccc1)CCCC)(c1ccccc1)c1ccccc1
• Title of publication: Palladium-catalyzed highly regioselective [3 + 2] cycloaddition reactions of alkylidenecyclopropa[b]naphthalenes with alkenes or alkynes: an efficient synthesis of 1(3)-alkylidene-2,3-dihydro-1H-benzo[f]indenes and 1-alkylidene-1H-benzo[f]indenes.
• Authors of publication: Chen, Wanli; Cao, Jian; Huang, Xian
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 5537 - 5540
• a: 11.8669 ± 0.0013 Å
• b: 9.9929 ± 0.0011 Å
• c: 19.656 ± 0.002 Å
• α: 90°
• β: 101.36 ± 0.002°
• γ: 90°
• Cell volume: 2285.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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: 0.1006
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No