Information card for entry 4515136

Structure parameters

• Formula: C40 H42 O2
• Calculated formula: C40 H42 O2
• SMILES: c1(cccc2ccccc12)C(c1cccc2ccccc12)O[C@@H]1[C@@]2([C@@H](CC1)[C@H]1[C@H](CC2)[C@@]2(C(=CC(=O)CC2)CC1)C)C
• 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: 7.88777 ± 0.00011 Å
• b: 15.4336 ± 0.0002 Å
• c: 24.6842 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3004.97 ± 0.08 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0441
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No