Information card for entry 7158132

Structure parameters

• Formula: C14 H14 N2 O2
• Calculated formula: C14 H14 N2 O2
• SMILES: O[C@H]1c2[nH]c3c(c2[C@@H]2N(C(=O)CC2)C1)cccc3.O[C@@H]1c2[nH]c3c(c2[C@H]2N(C(=O)CC2)C1)cccc3
• Title of publication: Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.
• Authors of publication: Shelar, Santosh V.; Argade, Narshinha P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 27
• Pages of publication: 6160 - 6169
• a: 24.406 ± 0.002 Å
• b: 5.0265 ± 0.0004 Å
• c: 9.4136 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1154.83 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No