Information card for entry 2004655

Structure parameters

• Formula: C27 H32 N4 O2
• Calculated formula: C27 H32 N4 O2
• SMILES: Cc1cc(C)c(c(c1)C)C1=NO[C@@H]2CN1N1C(=NO[C@@]1(C)C=C2C)c1c(C)cc(cc1C)C.Cc1cc(C)c(c(c1)C)C1=NO[C@H]2CN1N1C(=NO[C@]1(C)C=C2C)c1c(C)cc(cc1C)C
• Title of publication: 3,12-Dimesityl-6,8-dimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene and 3,12-Dimesityl-6,8,13-trimethyl-5,10-dioxa-1,2,4,11-tetraazatricyclo[7.3.1.0^2,6^]trideca-3,7,11-triene
• Authors of publication: Pierrot, M.; Giorgi, M.; El Messaoudi, M.; Hasnaoui, A.; El Aatmani, M.; Lavergne, J. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 736 - 739
• a: 10.169 ± 0.003 Å
• b: 8.748 ± 0.002 Å
• c: 15.254 ± 0.005 Å
• α: 104.45 ± 0.05°
• β: 97.4 ± 0.05°
• γ: 109.22 ± 0.05°
• Cell volume: 1207.3 ± 0.9 ų
• Cell temperature: 293 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 significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 1.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No