Information card for entry 2200846

Structure parameters

• Formula: C18 H16
• Calculated formula: C18 H16
• SMILES: [C@@]12(CCc3ccccc13)[C@H]1[C@@H]2Cc2ccccc12.[C@]12(CCc3ccccc13)[C@@H]1[C@H]2Cc2ccccc12
• Title of publication: Spiro[1,1a,6,6a-Tetrahydrocyclopropa[<i>a</i>]indene-1,1'-2',3'-dihydro-1'<i>H</i>-indene]
• Authors of publication: Jovanovic, Jovan; Elling, Wilhelm; Schürmann, Markus; Preut, Hans; Spiteller, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o67 - o68
• a: 7.0256 ± 0.0001 Å
• b: 12.5288 ± 0.0002 Å
• c: 14.8003 ± 0.0004 Å
• α: 90°
• β: 94.3527 ± 0.0009°
• γ: 90°
• Cell volume: 1299 ± 0.04 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 2
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes