Information card for entry 1556250

Structure parameters

• Common name: l206jrm_126b
• Formula: C20 H21 N O2
• Calculated formula: C20 H21 N O2
• SMILES: Cn1c2ccccc2c2c1[C@@H]1[C@@H](C)[C@@H]3[C@@]2(C)C(=O)[C@@]1(C)CC3=O.Cn1c2ccccc2c2c1[C@H]1[C@H](C)[C@H]3[C@]2(C)C(=O)[C@]1(C)CC3=O
• Title of publication: Synthesis of indole substituted twistenediones from a 2-quinonyl boronic acid.
• Authors of publication: Rojas-Martín, Jaime; Veguillas, Marcos; Ribagorda, María; Carreño, M Carmen
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 5686 - 5689
• a: 10.4429 ± 0.0003 Å
• b: 11.4676 ± 0.0003 Å
• c: 14.1151 ± 0.0004 Å
• α: 90°
• β: 107.314 ± 0.001°
• γ: 90°
• Cell volume: 1613.76 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No