Information card for entry 7100720

Structure parameters

• Formula: C42 H58 Mg2 N2 Na2 O9
• Calculated formula: C42 H58 Mg2 N2 Na2 O9
• SMILES: [Mg]([N](C)(C)CC[N]([Mg](c1occc1)(c1occc1)c1occc1)(C)C)(c1occc1)(c1occc1)c1occc1.[Na][O]1CCCC1.[Na]([O]1CCCC1)[O]1CCCC1
• Title of publication: Building an extended inverse crown motif via alkali-metal-mediated alpha-magnesiation of furan
• Authors of publication: D.V. Graham; E. Hevia; A.R. Kennedy; R.E. Mulvey; C.T. O'Hara; C. Talmard
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 15.5185 ± 0.0004 Å
• b: 12.6919 ± 0.0005 Å
• c: 22.3919 ± 0.0009 Å
• α: 90°
• β: 90.043 ± 0.002°
• γ: 90°
• Cell volume: 4410.3 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No