Information card for entry 2002986

Structure parameters

• Common name: D20P
• Chemical name: 1:1 complex of (R)-2,3:4,5-bis[1,2-(3-phenylnaphtho)]-1,6,9,12,15,18-hexaoxacycloeicosa-2,4- diene with phenylglycinium methyl ester perchlorate
• Formula: C51 H52 Cl N O13
• Calculated formula: C51 H52 Cl N O13
• Title of publication: Chiral recognition between host and guest: a binaphthyl-18-crown-6 host with <small>D</small>-phenylglycinium methyl ester perchlorate guest. A difficult structure solved with <i>CRUNCH</i>
• Authors of publication: Cram, Donald J.; de Graaff, R. A. G.; Knobler, Carolyn B.; Lingenfelter, David S.; Maverick, Emily F.; Trueblood, Kenneth N.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 432 - 440
• a: 23.048 ± 0.007 Å
• b: 34.383 ± 0.006 Å
• c: 11.992 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9503 ± 6 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections: 0.2247
• Weighted residual factors for significantly intense reflections: 0.2112
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes