Information card for entry 4074843

Structure parameters

• Formula: C11 H15 B O3
• Calculated formula: C11 H15 B O3
• SMILES: OB(c1c2c(ccc1)[C@H](OC)[C@H](C2)C)O.OB(c1c2c(ccc1)[C@@H](OC)[C@@H](C2)C)O
• Title of publication: Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes
• Authors of publication: Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1217 - 1229
• a: 7.777 ± 0.0016 Å
• b: 8.536 ± 0.0017 Å
• c: 8.748 ± 0.0017 Å
• α: 80.84 ± 0.03°
• β: 72.12 ± 0.03°
• γ: 78.97 ± 0.03°
• Cell volume: 539.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No