Information card for entry 2100855

Structure parameters

• Formula: C22 H24 O
• Calculated formula: C22 H24 O
• SMILES: O1C2([C@@H]3[C@H]4C[C@@H]5[C@H]6C[C@H]([C@@H]2[C@@H]46)[C@H]35)C21[C@H]1[C@@H]3C[C@H]4[C@@H]5C[C@@H]([C@H]2[C@H]35)[C@@H]14
• Title of publication: <i>meso</i>- and <small>D</small>,<small>L</small>-<i>D</i>~3~-trishomocubylidene-<i>D</i>~3~-trishomocubane oxides and <small>D</small>,<small>L</small>-bi-<i>D</i>~3~-trishomocubyl
• Authors of publication: Watson, W. H.; Kashyap, R. P.; Krawiec, M.; Marchand, A. P.; Reddy, C. M.; Gadgil, V. R.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 731 - 737
• a: 12.337 ± 0.002 Å
• b: 6.361 ± 0.003 Å
• c: 19.891 ± 0.002 Å
• α: 90°
• β: 96.44 ± 0.01°
• γ: 90°
• Cell volume: 1551.1 ± 0.8 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No