Information card for entry 4515137

Structure parameters

• Formula: C29 H24 O
• Calculated formula: C29 H24 O
• SMILES: c1(cccc2ccccc12)C(c1cccc2ccccc12)O[C@H](C)c1ccccc1
• Title of publication: Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.
• Authors of publication: Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 3244 - 3256
• a: 7.67545 ± 0.00013 Å
• b: 10.23967 ± 0.00017 Å
• c: 26.7674 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2103.76 ± 0.06 ų
• Cell temperature: 130 ± 0.14 K
• Ambient diffraction temperature: 130 ± 0.14 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No