Information card for entry 4034160

Structure parameters

• Formula: C34 H38 N4 O3 S
• Calculated formula: C34 H38 N4 O3 S
• SMILES: S(=O)(=O)(N1C2=C/C(=N/N3[C@@H](COC)CCC3)C[C@@H]3N(c4c([C@]23CC1)cccc4)Cc1ccccc1)c1ccc(cc1)C
• Title of publication: Construction of the Pyrrolo[2,3-<i>d</i>]carbazole Core of Spiroindoline Alkaloids by Gold-Catalyzed Cascade Cyclization of Ynamide.
• Authors of publication: Matsuoka, Junpei; Kumagai, Hiroshi; Inuki, Shinsuke; Oishi, Shinya; Ohno, Hiroaki
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 14
• Pages of publication: 9358 - 9363
• a: 9.1245 ± 0.0001 Å
• b: 23.3744 ± 0.0001 Å
• c: 14.4458 ± 0.0001 Å
• α: 90°
• β: 102.969 ± 0.001°
• γ: 90°
• Cell volume: 3002.4 ± 0.04 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No