Information card for entry 8101341

Structure parameters

• Common name: dimethylamino-spirophosphoran
• Formula: C20 H38 N O8 P
• Calculated formula: C20 H38 N O8 P
• SMILES: P12(OC(C(O1)(C)C)(C)C)(OC(C)(C(C)(O2)C)C)[C@@H](C(=O)OC)[C@H](N(C)C)C(=O)OC.P12(OC(C(O1)(C)C)(C)C)(OC(C)(C(C)(O2)C)C)[C@H](C(=O)OC)[C@@H](N(C)C)C(=O)OC
• Title of publication: Crystal structure of 9-benzoyl-5-methoxy-7-phenyl-7-phthalimido-2, 2,3,3-tetramethyl-1,4,6-trioxa-5-phospha(V)spiro[4.4]non-8-en, C~62~H~60~N~2~O~14~P~2~ and of dimethyl 3-(4,4,4',4',5,5,5',5'-octamethyl-1,1',3,3'-tetraoxa- 2-phospha(V)-spiro[4.4]nonanyl)-2(N,N-dimethyl)succinate), C~20~H~38~NO~8~P, two tetraoxaspiro-phosphorane(V) intermediates
• Authors of publication: Neuman, Alain; Leroux, Yves; El Manouni, Driss; Prangé, Thierry
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 539 - 543
• a: 15.915 ± 0.002 Å
• b: 15.829 ± 0.002 Å
• c: 9.955 ± 0.002 Å
• α: 90 ± 0.03°
• β: 95.86 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 2494.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No