Information card for entry 1545812

Structure parameters

• Formula: C29 H30 N2 O2
• Calculated formula: C29 H30 N2 O2
• SMILES: n1c(c(nc(c1C)C)C)C.Oc1c(c(O)ccc1)C.c1c2c(cc3c1cccc3)cccc2
• Title of publication: Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence
• Authors of publication: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R.
• Journal of publication: IUCrJ
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 96 - 101
• a: 7.5571 ± 0.0007 Å
• b: 24.125 ± 0.002 Å
• c: 12.9363 ± 0.0013 Å
• α: 90°
• β: 92.034 ± 0.004°
• γ: 90°
• Cell volume: 2357 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.085
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No