Information card for entry 7100721

Structure parameters

• Formula: C45 H100 Mg N9 Na
• Calculated formula: C45 H100 Mg N9 Na
• SMILES: C[N]1(C)CC[N](C)(CC[N]2(C)C)[Na]3421[N](C)(C)CC[N]3(CC[N]4(C)C)C.N1(C(CCCC1(C)C)(C)C)[Mg](N1C(CCCC1(C)C)(C)C)N1C(CCCC1(C)C)(C)C
• 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: 16.3726 ± 0.0003 Å
• b: 14.8374 ± 0.0002 Å
• c: 21.3411 ± 0.0004 Å
• α: 90°
• β: 90.145 ± 0.001°
• γ: 90°
• Cell volume: 5184.31 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: Yes
• Has Fobs: No