Information card for entry 2100018

Structure parameters

• Formula: C48 H70 I N11 O13
• Calculated formula: C48 H70 I N11 O13
• SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)N[C@]1(CCc2c(C1)cccc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)I)C)C)(C)C)C)C)C)C)C.CN(O)O
• Title of publication: Space group <i>P</i>1: an update
• Authors of publication: Richard E. Marsh
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: 359 - 359
• a: 40.254 Å
• b: 12.53 Å
• c: 11.134 Å
• α: 90°
• β: 98.48°
• γ: 90°
• Cell volume: 5554.4 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No