Information card for entry 7242346

Structure parameters

• Chemical name: (1R,2S,3R,4S)-(+)-1,7,7-trimethyl-3-(propa-1,2-dien-lyl)bicyclo[2.2.1]heptane-2,3-diol
• Formula: C13 H20 O2
• Calculated formula: C13 H20 O2
• SMILES: O[C@H]1[C@@]2(CC[C@@H](C2(C)C)[C@]1(O)C=C=C)C
• Title of publication: Studies in the rearrangement reactions involving camphorquinone
• Authors of publication: Rao, H. Surya Prakash; Saha, Ahana; Vijjapu, Satish
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 7180 - 7186
• a: 6.942 ± 0.0008 Å
• b: 10.4314 ± 0.0012 Å
• c: 16.881 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1222.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1013
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No