Information card for entry 1555031

Structure parameters

• Formula: C36 H39 N O2
• Calculated formula: C36 H39 N O2
• SMILES: c12ccccc1[nH]c(c2C(c1ccc(cc1)OC)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1ccccc1
• Title of publication: Expedient Access to Unsymmetrical Diarylindolylmethanes through Palladium-Catalyzed Domino Electrophilic Cyclization-Extended Conjugate Addition Approach.
• Authors of publication: Reddy, Virsinha; Vijaya Anand, Ramasamy
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3390 - 3393
• a: 14.8225 ± 0.0019 Å
• b: 11.0736 ± 0.0013 Å
• c: 18.657 ± 0.003 Å
• α: 90°
• β: 100.056 ± 0.006°
• γ: 90°
• Cell volume: 3015.3 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.2069
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No