Information card for entry 7101854

Structure parameters

• Common name: (S,aR)-1b
• Chemical name: (S,aR)-1b
• Formula: C19 H21 N O4
• Calculated formula: C19 H21 N O4
• SMILES: c1(c(ccc2ccccc12)OCC)C(=O)N1CCC[C@H]1C(=O)OC
• Title of publication: Diastereoselective photocycloaddition using memory effect of molecular chirality controlled by crystallization.
• Authors of publication: Sakamoto, Masami; Unosawa, Atsushi; Kobaru, Shuichiro; Hasegawa, Yasuhiro; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 16
• Pages of publication: 1632 - 1634
• a: 7.6654 ± 0.0005 Å
• b: 12.799 ± 0.0008 Å
• c: 9.0881 ± 0.0006 Å
• α: 90°
• β: 99.486 ± 0.001°
• γ: 90°
• Cell volume: 879.44 ± 0.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.496
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No