Information card for entry 7059797

Structure parameters

• Formula: C37 H48 N2 O2
• Calculated formula: C37 H48 N2 O2
• Title of publication: Pictet‒Spengler condensations using 4-(2-aminoethyl)coumarins
• Authors of publication: Sviripa, Vitaliy M.; Fiandalo, Michael V.; Begley, Kristin L.; Wyrebek, Przemyslaw; Kril, Liliia M.; Balia, Andrii G.; Parkin, Sean R.; Subramanian, Vivekanandan; Chen, Xi; Williams, Alexander H.; Zhan, Chang-Guo; Liu, Chunming; Mohler, James L.; Watt, David S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 13415 - 13429
• a: 10.392 ± 0.0006 Å
• b: 10.2078 ± 0.0006 Å
• c: 14.5078 ± 0.0009 Å
• α: 90°
• β: 105.801 ± 0.002°
• γ: 90°
• Cell volume: 1480.83 ± 0.15 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0699
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No