Information card for entry 7151716

Structure parameters

• Formula: C24 H22 N5
• Calculated formula: C24 H22 N5
• SMILES: N(c1c(ccc2cccc(N(C)C)c12)/C=C(C#N)/c1[nH]c2ccccc2n1)(C)C
• Title of publication: Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.
• Authors of publication: Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1887 - 1900
• a: 10.247 ± 0.004 Å
• b: 11.52 ± 0.004 Å
• c: 34.634 ± 0.013 Å
• α: 90°
• β: 102.208 ± 0.007°
• γ: 90°
• Cell volume: 3996 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1712
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No