Information card for entry 2007425

Structure parameters

• Chemical name: sp-(R)-9-(o-t-Butylphenyl)-9-fluorenol-2-N- [(S)-α-methylbenzyl]carboamide^.^Acetone
• Formula: C35 H37 N O3
• Calculated formula: C35 H37 N O3
• SMILES: O[C@@]1(c2c(c3ccc(cc13)C(=O)N[C@@H](C)c1ccccc1)cccc2)c1c(cccc1)C(C)(C)C.O=C(C)C
• Title of publication: <i>sp</i>-(<i>R</i>)-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-hydroxy-<i>N</i>-[(<i>S</i>)-α-methylbenzyl]fluorene-2-carboxamide–Acetone: a Novel 1:1 Cavitate
• Authors of publication: Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 1013 - 1016
• a: 8.57 ± 0.002 Å
• b: 12.4127 ± 0.0015 Å
• c: 14.549 ± 0.002 Å
• α: 90°
• β: 106.502 ± 0.015°
• γ: 90°
• Cell volume: 1483.9 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1349
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No