Information card for entry 7100212

Structure parameters

• Common name: Dianin Morpholine Clathrate
• Formula: C58 H69 N O7
• Calculated formula: C58 H69 N O7
• SMILES: O1C(C)(CC(c2ccccc12)(c1ccc(O)cc1)C)C.Oc1ccc(C2(CC(Oc3c2cccc3)(C)C)C)cc1.O1CC[NH2+]CC1.[O-]c1ccc(cc1)C1(c2ccccc2OC(C)(C1)C)C
• Title of publication: New approach to sulfonated diphosphines: synthesis and amphoteric behaviour of the zwitterionic complex [Mn+(CO)4{(PPh2)2C(H)SO3-}]
• Authors of publication: Javier Ruiz; Mario Ceroni; Santiago Garcia-Granda; Marta Gonzalo; F.van der Maelen; M. Vivanco
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 11.0956 ± 0.0008 Å
• b: 16.0377 ± 0.0011 Å
• c: 26.6878 ± 0.0019 Å
• α: 89.935 ± 0.002°
• β: 89.931 ± 0.001°
• γ: 77.387 ± 0.001°
• Cell volume: 4634.4 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No