Information card for entry 7113127

Structure parameters

• Common name: Methyl-(2-(3-(2-azido-2-methylpropanamido)-5-bromo-2- methoxybenzamido)-2-methoxybenzamido)-2-methylpropanamido)-5-bromo-2- methoxybenzoate
• Formula: C25 H28 Br2 N6 O7
• Calculated formula: C25 H28 Br2 N6 O7
• SMILES: Brc1cc(c(c(c1)C(=O)OC)OC)NC(=O)C(C)(C)NC(=O)c1c(c(cc(Br)c1)NC(=O)C(C)(C)N=N#N)OC
• Title of publication: Sheet-forming abiotic hetero foldamers
• Authors of publication: Baruah, Pranjal K.; Sreedevi, Naduthottiyil K.; Majumdar, Baisakhi; Pasricha, Renu; Poddar, Pankaj; Gonnade, Rajesh; Ravindranathan, Sapna; Sanjayan, Gangadhar J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 6
• Pages of publication: 712 - 714
• a: 18.553 ± 0.004 Å
• b: 16.68 ± 0.004 Å
• c: 9.608 ± 0.002 Å
• α: 90°
• β: 101.48 ± 0.004°
• γ: 90°
• Cell volume: 2913.8 ± 1.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102873
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No