Information card for entry 7150461

Structure parameters

• Formula: C22 H23 N O7
• Calculated formula: C22 H23 N O7
• SMILES: c1(cc2[C@H]3OC(=O)/C(=C/O[C@@H]4C=C(C(=O)O4)C)[C@H]3Cc2cc1)NC(=O)OC(C)(C)C
• Title of publication: Synthesis and bioactivity of labelled germination stimulants for the isolation and identification of the strigolactone receptor
• Authors of publication: Anat Reizelman; Suzanne C. M. Wigchert; Cinzia del-Bianco; Binne Zwanenburg
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 6
• Pages of publication: 950 - 959
• a: 9.3201 ± 0.0004 Å
• b: 12.5782 ± 0.0004 Å
• c: 17.9679 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2106.38 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No