Information card for entry 8101911

Structure parameters

• Chemical name: R-1,1'-bi-2-naphthol 1,3-bis(pyrid-4-yl)propane
• Formula: C33 H28 N2 O2
• Calculated formula: C33 H28 N2 O2
• SMILES: Oc1c(c2ccccc2cc1)c1c(O)ccc2ccccc12.n1ccc(cc1)CCCc1ccncc1
• Title of publication: Crystal structure of (R)-1,1'-bi-2-naphthol 1,3-bis(pyrid-4-yl)propane, C~20~H~14~O~2~ · C~13~H~14~N~2~
• Authors of publication: Ma, Z.-C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 65 - 67
• a: 10.1064 ± 0.001 Å
• b: 11.5006 ± 0.0011 Å
• c: 22.425 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2606.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No