Information card for entry 2101186

Structure parameters

• Formula: C17 H30 N2 O4
• Calculated formula: C17 N2 O4
• SMILES: O=C(OC)NC1CCC(CC1)CC1CCC(NC(=O)OC)CC1
• Title of publication: Structure of <i>trans</i>,<i>trans</i>-4,4'-di(methoxycarbonylimino)dicyclohexylmethane: a model for <i>trans</i>,<i>trans</i>-4,4'-diisocyanatodicyclohexylmethane/1,4-butanediol-based units in polyurethane hard segments
• Authors of publication: Milius, W.; Steinlein, C.; Eisenbach, C. D.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 455 - 458
• a: 17.963 ± 0.004 Å
• b: 6.29 ± 0.002 Å
• c: 18.214 ± 0.004 Å
• α: 90°
• β: 116.59 ± 0.03°
• γ: 90°
• Cell volume: 1840.3 ± 1 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No