Information card for entry 4079210

Structure parameters

• Common name: 8b
• Chemical name: 5'-ethoxy-3'-phenylspiro[fluorene-9,2'-pyrrole]
• Formula: C24 H19 N O
• Calculated formula: C24 H19 N O
• SMILES: O(CC)C1=NC2(c3c(c4c2cccc4)cccc3)C(=C1)c1ccccc1
• Title of publication: Addition of Oxime Derivatives to Alkynyl Fischer Carbene Complexes
• Authors of publication: González, Héctor F.; Blanco-Lomas, Marina; Rivado-Casas, Laura; Rodr\?íguez, Miguel A.; Campos, Pedro J.; Sampedro, Diego
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 18
• Pages of publication: 6572
• a: 11.93 ± 0.006 Å
• b: 11.237 ± 0.004 Å
• c: 13.729 ± 0.006 Å
• α: 90°
• β: 91.24 ± 0.02°
• γ: 90°
• Cell volume: 1840 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No