Information card for entry 4020821

Structure parameters

• Formula: C22 H32
• Calculated formula: C22 H32
• SMILES: C1[C@H]2C(C)(C)[C@@H]1C(=C1C3=C(C)[C@@H]4C[C@@H](C4(C)C)C[C@@H]3[C@H]1C2)C.C1[C@@H]2C(C)(C)[C@H]1C(=C1C3=C(C)[C@H]4C[C@H](C4(C)C)C[C@H]3[C@@H]1C2)C
• Title of publication: Incorporation of an Allene Unit into α-Pinene: Generation of the Cyclic Allene 2,7,7-Trimethylbicyclo[4.1.1]octa-2,3-diene and Its Dimerization
• Authors of publication: Akin Azizoǧlu; Recep Özen; Tuncer Hökelek; Metin Balci
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1202 - 1206
• a: 14.5155 ± 0.001 Å
• b: 6.3411 ± 0.001 Å
• c: 20.747 ± 0.001 Å
• α: 90°
• β: 108.151 ± 0.01°
• γ: 90°
• Cell volume: 1814.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No