Information card for entry 2200973

Structure parameters

• Chemical name: 1,1-Dibenzyl-6-methoxy-3,4-dihydro-1H-naphthalen-2-one
• Formula: C25 H24 O2
• Calculated formula: C25 H24 O2
• SMILES: O=C1C(c2ccc(OC)cc2CC1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: 1,1-Dibenzyl-6-methoxy-3,4-dihydro-1<i>H</i>-naphthalen-2-one
• Authors of publication: Christopher L. Brown; Sarah J. Head; Peter C. Healy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o178 - o179
• a: 14.766 ± 0.005 Å
• b: 11.214 ± 0.004 Å
• c: 12.089 ± 0.004 Å
• α: 90°
• β: 102.51 ± 0.03°
• γ: 90°
• Cell volume: 1954.2 ± 1.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes