Information card for entry 1573251

Structure parameters

• Formula: C25 H26 O3
• Calculated formula: C25 H26 O3
• SMILES: O(C(c1ccccc1)c1ccccc1)[C@H](C=C)[C@@](O)(C)c1ccccc1OC
• Title of publication: BINAP-CuH-catalysed enantioselective allylation using alkoxyallenes to access 1,2-<i>syn-tert</i>,<i>sec</i>-diols.
• Authors of publication: Navaneetha, N.; Maurya, Sundaram; Behera, Prativa; Jadhav, Sandip B.; Magham, Lakshmi Revati; Nanubolu, Jagadeesh Babu; Roy, Lisa; Chegondi, Rambabu
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 48
• Pages of publication: 20379 - 20387
• a: 8.0727 ± 0.0018 Å
• b: 17.381 ± 0.003 Å
• c: 8.2903 ± 0.0016 Å
• α: 90°
• β: 117.903 ± 0.005°
• γ: 90°
• Cell volume: 1028 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No