Information card for entry 7155617

Structure parameters

• Formula: C28 H25 I N2
• Calculated formula: C28 H25 I N2
• SMILES: c12ccccc1nc1c3ccc(CC)cc3c(c(c1n2)I)c1ccc(cc1)C(C)(C)C
• Title of publication: Regioselective 6-endo-dig Iodocyclization: An accessible approach for Iodo-benzo[a]phenazines
• Authors of publication: Verma, Akhilesh K.; Kumar, Sonu; Mujahid, Mohammad
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 9.6023 ± 0.0003 Å
• b: 11.8204 ± 0.0004 Å
• c: 12.0014 ± 0.0006 Å
• α: 118.262 ± 0.004°
• β: 99.616 ± 0.003°
• γ: 94.267 ± 0.003°
• Cell volume: 1164.33 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0391
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No