Information card for entry 1504929

Structure parameters

• Formula: C23 H19 N
• Calculated formula: C23 H10 N
• SMILES: N(=C(c1ccccc1)c1ccccc1)C1CC(c2ccccc12)=C
• Title of publication: One-pot tandem decarboxylative allylation-Heck cyclization of allyl diphenylglycinate imines: rapid access to polyfunctionalized 1-aminoindanes.
• Authors of publication: Fields, Wendy H.; Khan, Ali K.; Sabat, Michal; Chruma, Jason J.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 22
• Pages of publication: 5131 - 5134
• a: 14.7133 ± 0.0011 Å
• b: 8.3268 ± 0.0006 Å
• c: 15.9547 ± 0.0012 Å
• α: 90°
• β: 116.296 ± 0.002°
• γ: 90°
• Cell volume: 1752.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• 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: 0.1288
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2674
• Weighted residual factors for all reflections included in the refinement: 0.3054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No