Information card for entry 1503996

Structure parameters

• Formula: C36 H27 N O2 S
• Calculated formula: C36 H27 N O2 S
• SMILES: S(=O)(=O)(/N=C\1C(=C(c2ccccc12)c1ccccc1)C(c1ccccc1)=Cc1ccccc1)c1ccc(cc1)C
• 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: 13.9715 ± 0.0006 Å
• b: 12.9265 ± 0.0006 Å
• c: 16.0665 ± 0.0009 Å
• α: 90°
• β: 105.422 ± 0.0016°
• γ: 90°
• Cell volume: 2797.2 ± 0.2 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No