Information card for entry 7119612

Structure parameters

• Formula: C38 H32 N2 O2 S
• Calculated formula: C38 H32 N2 O2 S
• SMILES: S(=O)(=O)(N(c1ccccc1)/C=C1/[C@H](n2c3c(c(c4ccc(C)cc4)c2C1)cccc3)c1ccccc1)c1ccc(cc1)C
• Title of publication: [3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides.
• Authors of publication: Chakrabarty, Indradweep; Inamdar, Suleman M.; Akram, Manjur O.; Gade, Amol B.; Banerjee, Subhrashis; Bera, Saibal; Patil, Nitin T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 196 - 199
• a: 5.8561 ± 0.0003 Å
• b: 23.26 ± 0.0009 Å
• c: 44.864 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6111.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No