Information card for entry 7213054

Structure parameters

• Formula: C26 H38 N4 O6
• Calculated formula: C26 H38 N4 O6
• SMILES: O1[C@@H]([C@@]2(N=C(OC)[C@H](N=C2OC)C(C)C)CC=C)[C@@]2(N(C1=O)C(=C(N=C2OC)C(C)C)OC)CC=C
• Title of publication: Ru(II)-Catalysis in preparation of sterically congested and stereochemically homogeneous heterospiranes
• Authors of publication: Efskind, Jon; Rømming, Christian; Undheim, Kjell
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1677
• a: 8.2588 ± 0.0002 Å
• b: 13.6878 ± 0.0001 Å
• c: 24.1712 ± 0.0004 Å
• α: 90°
• β: 96.55 ± 0.001°
• γ: 90°
• Cell volume: 2714.59 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections: 0.2912
• Weighted residual factors for significantly intense reflections: 0.2187
• Goodness-of-fit parameter for all reflections: 1.151
• Goodness-of-fit parameter for significantly intense reflections: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No