Information card for entry 4034245

Structure parameters

• Formula: C35 H27 F N2 O2 S
• Calculated formula: C35 H27 F N2 O2 S
• SMILES: S(=O)(=O)(N/C=C(n1c(c2ccccc2)c(c2ccccc2)c2c1cccc2)/c1c(F)cccc1)c1ccc(cc1)C
• 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: 10.7376 ± 0.0009 Å
• b: 12.1732 ± 0.0012 Å
• c: 15.8235 ± 0.0017 Å
• α: 71.982 ± 0.009°
• β: 88.589 ± 0.008°
• γ: 64.831 ± 0.009°
• Cell volume: 1766.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No