Information card for entry 4107427

Structure parameters

• Formula: C15 H20 Br N O3
• Calculated formula: C15 H20 Br N O3
• SMILES: Brc1ccc(cc1)C(=O)N(C)[C@@H]1[C@H](O[C@@H](OC)CC1)C
• Title of publication: Discovery of Incednine as a Potent Modulator of the Anti-apoptotic Function of Bcl-xL from Microbial Origin
• Authors of publication: Yushi Futamura; Ryuichi Sawa; Yoji Umezawa; Masayuki Igarashi; Hikaru Nakamura; Kimiko Hasegawa; Mikio Yamasaki; Etsu Tashiro; Yoshikazu Takahashi; Yuzuru Akamatsu; Masaya Imoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1822 - 1823
• a: 8.41004 ± 0.00015 Å
• b: 10.48964 ± 0.00019 Å
• c: 9.3145 ± 0.00017 Å
• α: 90°
• β: 107.815 ± 0.0008°
• γ: 90°
• Cell volume: 782.31 ± 0.02 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No