Information card for entry 2218558

Structure parameters

• Chemical name: Di-<i>tert</i>-butyl N,N'-(octahydropentalene-2,5-diyl)dicarbamate
• Formula: C18 H32 N2 O4
• Calculated formula: C18 H32 N2 O4
• SMILES: O=C(OC(C)(C)C)NC1CC2C(C1)CC(NC(=O)OC(C)(C)C)C2
• Title of publication: Di-<i>tert</i>-butyl <i>N</i>,<i>N</i>'-(octahydropentalene-2,5-diyl)dicarbamate
• Authors of publication: Kendhale, Amol M.; Gonnade, Rajesh G.; Sanjayan, Gangadhar J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1149
• a: 33.161 ± 0.017 Å
• b: 6.06 ± 0.003 Å
• c: 9.926 ± 0.005 Å
• α: 90°
• β: 95.594 ± 0.009°
• γ: 90°
• Cell volume: 1985.2 ± 1.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes