Information card for entry 1545887

Structure parameters

• Formula: C28 H28 N2 O10
• Calculated formula: C28 H28 N2 O10
• SMILES: [C@@]123CCC4(C[C@@]1(C[C@H](C2)OC(=O)c1ccc(cc1)N(=O)=O)CC[C@@H]3OC(=O)c1ccc(cc1)N(=O)=O)OCCO4
• Title of publication: Asymmetric Synthesis of Carbocyclic Propellanes.
• Authors of publication: Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias
• Journal of publication: Organic letters
• Year of publication: 2017
• a: 7.3394 ± 0.0005 Å
• b: 12.4108 ± 0.0008 Å
• c: 14.7998 ± 0.0013 Å
• α: 107.312 ± 0.005°
• β: 100.068 ± 0.005°
• γ: 91.14 ± 0.005°
• Cell volume: 1263.48 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No