Information card for entry 7213223

Structure parameters

• Formula: C24 H20 N2
• Calculated formula: C24 H20 N2
• SMILES: N12N=Cc3ccccc3[C@@]1(C)[C@@H](c1ccccc1)C=C2c1ccccc1.N12N=Cc3ccccc3[C@]1(C)[C@H](c1ccccc1)C=C2c1ccccc1
• 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: 17.081 ± 0.002 Å
• b: 7.0507 ± 0.0008 Å
• c: 16.116 ± 0.002 Å
• α: 90°
• β: 112.113 ± 0.006°
• γ: 90°
• Cell volume: 1798.1 ± 0.4 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 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 significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0475
• Goodness-of-fit parameter for significantly intense reflections: 1.1246
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No