Information card for entry 2002069

Structure parameters

• Formula: C15 H19 Cl2 N O
• Calculated formula: C15 H19 Cl2 N O
• SMILES: O=C1NC(=C2[C@@H]([C@H]1Cl)CC/C=C/CC/C=C\CC2)Cl.O=C1NC(=C2[C@H]([C@@H]1Cl)CC/C=C/CC/C=C\CC2)Cl
• Title of publication: (4<i>E</i>,8<i>Z</i>,12<i>E</i>)-13,16-Dichloro-14-azabicyclo[10.4.0]hexadeca-4,8,12-trien-15-one: a thermal cycloaddition product
• Authors of publication: Barlow, M. G.; Pritchard, R. G.; Sibous, L.; Tipping, A. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 103 - 104
• a: 13.978 ± 0.008 Å
• b: 7.467 ± 0.009 Å
• c: 16.452 ± 0.009 Å
• α: 90°
• β: 114.11 ± 0.04°
• γ: 90°
• Cell volume: 1567 ± 2 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No