Information card for entry 4034246

Structure parameters

• Formula: C36 H29 N3 O2 S
• Calculated formula: C36 H29 N3 O2 S
• SMILES: c1ccc2c(c1)c(c(NS(=O)(=O)c1ccc(C)cc1)n2C)n1c(c2ccccc2)c(c2ccccc2)c2c1cccc2
• Title of publication: Synthesis of 1-(2-Aminovinyl)indoles and 1,3'-Biindoles by Reaction of 2,2-Diaryl-Substituted 2 H-Azirines with α-Imino Rh(II) Carbenoids.
• Authors of publication: Khaidarov, Adel R.; Rostovskii, Nikolai V.; Zolotarev, Andrey A.; Khlebnikov, Alexander F.; Novikov, Mikhail S.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 3743 - 3753
• a: 8.586 ± 0.0002 Å
• b: 12.0693 ± 0.0004 Å
• c: 15.3164 ± 0.0005 Å
• α: 100.733 ± 0.003°
• β: 101.129 ± 0.002°
• γ: 108.783 ± 0.003°
• Cell volume: 1420.73 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No