Information card for entry 1557954

Structure parameters

• Common name: 1,4,6,7-Tetramethy1-1,2-dihydronaphthalene-r-1,c-2-diol
• Formula: C14 H18 O2
• Calculated formula: C14 O2
• SMILES: O[C@]1([C@@H](O)C=C(c2cc(c(cc12)C)C)C)C.O[C@@]1([C@H](O)C=C(c2cc(c(cc12)C)C)C)C
• Title of publication: Photochemical Nitration by Tetranitromethane. Part XXIV. Adduct Formation in the Photochemical Reaction of 1,4,6,7-Tetramethylnaphthalene; Some Rearrangement Studies of 1,4,6,7-Tetramethyl-r-1-nitro-t-4-trinitromethyl-1,4-dihydronaphthalene and Evidence for Inverted Spin Trapping of Trinitromethanide Ion
• Authors of publication: Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1995
• Journal volume: 49
• Pages of publication: 571 - 584
• a: 5.264 ± 0.001 Å
• b: 8.505 ± 0.002 Å
• c: 13.864 ± 0.003 Å
• α: 104.08 ± 0.03°
• β: 100.04 ± 0.03°
• γ: 94.96 ± 0.03°
• Cell volume: 587.4 ± 0.2 ų
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No