Information card for entry 7131618

Structure parameters

• Formula: C28 H23 N O
• Calculated formula: C28 H23 N O
• SMILES: n1(Cc2ccccc2)c2c(cccc2)c(c2c(OC)cccc2)c1c1ccccc1
• Title of publication: <i>Syn</i>- <i>versus anti</i>-carbopalladation of alkynes with organoborons: access to indoles symmetrically and unsymmetrically substituted on their 2,3-positions.
• Authors of publication: Ghasemi, Mehran; Rahimi, Banafshe; Dehghan, Maryam; Bernoosha, Mohammad Hossein; Jafarpour, Farnaz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 45
• Pages of publication: 6873 - 6876
• a: 10.887 ± 0.002 Å
• b: 9.942 ± 0.002 Å
• c: 19.661 ± 0.004 Å
• α: 90°
• β: 92.94 ± 0.03°
• γ: 90°
• Cell volume: 2125.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No