Information card for entry 7129204

Structure parameters

• Formula: C17 H16
• Calculated formula: C17 H16
• SMILES: c12c3C4=CCCCCC4c2cccc1ccc3
• Title of publication: TfOH catalysed domino-double annulation of arenes with propargylic alcohols: A unified approach to indene polycyclic systems
• Authors of publication: Baire, Beeraiah; Yadav, Bhavna
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 7.5288 ± 0.0003 Å
• b: 8.6068 ± 0.0003 Å
• c: 10.6262 ± 0.0004 Å
• α: 81.5606 ± 0.0018°
• β: 72.1189 ± 0.0019°
• γ: 67.1244 ± 0.0018°
• Cell volume: 603.47 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No