Information card for entry 2001107

Structure parameters

• Formula: C18 H31 I
• Calculated formula: C18 H30 I
• SMILES: I[C@H]1[C@H]2C[C@H]3C[C@@H]1[C@@H](C[C@]3(C2)C(C)(C)C)C(C)(C)C
• Title of publication: Structure of 3,5-di-<i>tert</i>-butyl-10-iodoprotoadamantane
• Authors of publication: Kojić-Prodić, B.; Luić, M.; Nigović, B.; Duddeck, H.; Rosenbaum, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 131 - 133
• a: 9.095 ± 0.001 Å
• b: 7.087 ± 0.001 Å
• c: 14.149 ± 0.002 Å
• α: 90°
• β: 107.87 ± 0.03°
• γ: 90°
• Cell volume: 868 ± 0.2 ų
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No