Information card for entry 1507528

Structure parameters

• Chemical name: 1,4-diphenylcyclohexane ?
• Formula: C18 H20
• Calculated formula: C18 H20
• SMILES: C1(c2ccccc2)CCC(CC1)c1ccccc1
• Title of publication: Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation
• Authors of publication: Tukada, Hideyuki; Mochizuki, Katsura
• Journal of publication: Organic Letters
• Year of publication: 2001
• Journal volume: 3
• Journal issue: 21
• Pages of publication: 3305
• a: 7.069 ± 0.0016 Å
• b: 18.263 ± 0.004 Å
• c: 5.618 ± 0.0017 Å
• α: 90°
• β: 110.236 ± 0.018°
• γ: 90°
• Cell volume: 680.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No