Information card for entry 2100870

Structure parameters

• Formula: C13 H15 Cl2 N O3
• Calculated formula: C13 H15 Cl2 N O3
• SMILES: Cl[C@@]1([C@@H]2[C@H]3[C@@H]4[C@H]([C@@H]13)[C@@H](Cl)[C@H]2OC4=O)C(=O)NC(C)C.Cl[C@]1([C@H]2[C@@H]3[C@H]4[C@@H]([C@H]13)[C@H](Cl)[C@@H]2OC4=O)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: 9.902 ± 0.002 Å
• b: 9.381 ± 0.002 Å
• c: 15.174 ± 0.002 Å
• α: 90°
• β: 103.25 ± 0.01°
• γ: 90°
• Cell volume: 1372 ± 0.4 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No