Information card for entry 7225221

Structure parameters

• Formula: C34 H28 N2 O4
• Calculated formula: C34 H28 N2 O4
• SMILES: c12ccccc1[C@]1(C(=O)N2C)[C@]2([C@H]([C@H](c3ccc(cc3)C)O1)c1ccccc1)c1ccccc1N(C2=O)C(=O)C.c12ccccc1[C@@]1(C(=O)N2C)[C@@]2([C@@H]([C@@H](c3ccc(cc3)C)O1)c1ccccc1)c1ccccc1N(C2=O)C(=O)C
• Title of publication: Rhodium- catalyzed cycloaddition of carbonyl ylides for the synthesis of spiro[furo[2,3-a]xanthene-2,3'-indolin]-2'-one scaffolds
• Authors of publication: Basireddy, Venkata Subba Reddy; Elala, Pravardhan Reddy; Balasubramanian, Sridhar; Yerrabelly, JayaPrakash Rao
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.4245 ± 0.0008 Å
• b: 11.2214 ± 0.0009 Å
• c: 12.1997 ± 0.001 Å
• α: 96.489 ± 0.001°
• β: 94.707 ± 0.001°
• γ: 108.616 ± 0.001°
• Cell volume: 1333.14 ± 0.18 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No