Information card for entry 1559865

Structure parameters

• Common name: (+)-3-naphthoylcamphor
• Chemical name: (1<i>R</i>,3<i>S</i>,4<i>R</i>)-1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one
• Formula: C21 H22 O2
• Calculated formula: C21 H22 O2
• SMILES: O=C1[C@@H](C(=O)c2cc3c(cc2)cccc3)[C@@H]2C([C@]1(CC2)C)(C)C
• Title of publication: 1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one
• Authors of publication: Bendia, Sabrina; Ouari, Kamel; Ait Ali, Mustapha; el Firdousi, Larbi; Nazarenko, Alexander Y.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 12
• Pages of publication: x201662
• a: 9.5637 ± 0.0003 Å
• b: 9.5637 ± 0.0003 Å
• c: 36.3395 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3323.77 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes