Information card for entry 1503995

Structure parameters

• Formula: C29 H20
• Calculated formula: C29 H20
• SMILES: c12ccccc1C1(C(=Cc3c1cccc3)C(=C2)c1ccccc1)c1ccccc1
• Title of publication: Synthesis of functionalized indenes via cascade reaction of aziridines and propargyl alcohols.
• Authors of publication: Wang, Shaoyin; Zhu, Yuanxun; Wang, Yanguang; Lu, Ping
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2615 - 2618
• a: 8.8382 ± 0.0009 Å
• b: 9.7835 ± 0.001 Å
• c: 12.0361 ± 0.0012 Å
• α: 77.648 ± 0.002°
• β: 76.495 ± 0.002°
• γ: 79.917 ± 0.002°
• Cell volume: 979.93 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No