Information card for entry 2008771

Structure parameters

• Common name: dimer of 2-methylene-3,4-dihydo-1(2H)-naphthalenone
• Chemical name: 3,4-dihydronaphthyl[2,3-b]tetrahydropyran- 2-spiro-2'-3,4-dihydro-1(2H)-naphthalenone
• Formula: C22 H20 O2
• Calculated formula: C22 H20 O2
• SMILES: O1C2=C(CCC31C(=O)c1ccccc1CC3)CCc1ccccc21
• Title of publication: 3,4,5,6-Tetrahydro-2<i>H</i>-naphtho[1,2-<i>b</i>]pyran-2-spiro-2'-1',2',3',4'-tetrahydronaphthalene-1'-one
• Authors of publication: Quail, J. Wilson; Pandeya, Surendra N.; Dimmock, Jonathan R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1349 - 1351
• a: 8.0204 ± 0.0005 Å
• b: 9.0398 ± 0.001 Å
• c: 22.5974 ± 0.0015 Å
• α: 90°
• β: 96.362 ± 0.006°
• γ: 90°
• Cell volume: 1628.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No