Information card for entry 2100869

Structure parameters

• Formula: C13 H14 Cl2 N2 O
• Calculated formula: C13 H14 Cl2 N2 O
• SMILES: ClC1([C@H]2C3C4([C@@H]([C@H]13)C(Cl)[C@@H]24)C#N)C(=O)NC(C)C.ClC1([C@@H]2C3C4([C@H]([C@@H]13)C(Cl)[C@H]24)C#N)C(=O)NC(C)C
• Title of publication: Structures of secocubane and nortwistbrendane derivatives
• Authors of publication: Ammon, H. L.; Bashir-Hashemi, A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 832 - 837
• a: 33.96 ± 0.01 Å
• b: 15.795 ± 0.005 Å
• c: 10.879 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5835 ± 3 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: F d d 2
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No