Information card for entry 4020382

Structure parameters

• Formula: C26 H30 N2 O6
• Calculated formula: C13 H15 N O3
• SMILES: c1(c(C(=O)OC)c2CC(C(=O)c2[nH]1)C(=C)C)C
• Title of publication: N-Vinyl- and C-Vinylpyrroles from Azafulvenium Methides. Flash Vacuum Pyrolysis Route to 5-Oxo-5H-pyrrolizines and 1-Azabenzo[f]azulenes
• Authors of publication: Teresa M. V. D. Pinho e Melo; Maria I. L. Soares; António M. d'A. Rocha Gonsalves; José A. Paixão; Ana Matos Beja; Manuela Ramos Silva
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6629 - 6638
• a: 5.16 ± 0.002 Å
• b: 10.5619 ± 0.0007 Å
• c: 11.939 ± 0.002 Å
• α: 108.097 ± 0.008°
• β: 99 ± 0.03°
• γ: 94.537 ± 0.017°
• Cell volume: 605.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No