Information card for entry 7213222

Structure parameters

• Formula: C20 H18
• Calculated formula: C20 H18
• SMILES: C1CCC2=C1c1c([C@H]3[C@@H]2[C@@H]3c2ccccc2)cccc1.C1CCC2=C1c1c([C@@H]3[C@H]2[C@H]3c2ccccc2)cccc1
• Title of publication: Reactions of triene-conjugated diazo-compounds: reaction paths from o-(1,3-dienyl)aryldiazomethanes to 3,8-methano-1,2-diazocines and to pyrrolo[2,1-a]phthalazines via intramolecular (3 + 2) and 1,1-cycloaddition reactions
• Authors of publication: Sharp, John T.; Wilson, Paul; Parsons, Simon; Gould, Robert O.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1139
• a: 18.699 ± 0.002 Å
• b: 22.045 ± 0.002 Å
• c: 6.898 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2843.5 ± 0.9 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 2
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections: 0.1468
• Weighted residual factors for significantly intense reflections: 0.1182
• Goodness-of-fit parameter for all reflections: 1.006
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No