Information card for entry 7234081

Structure parameters

• Formula: C48 H51 N9 O6
• Calculated formula: C48 H51 N9 O6
• SMILES: Oc1cc(O)cc(O)c1.O(c1ccc(/N=N/c2ccncc2)cc1)CCC.O(c1ccc(/N=N/c2ccncc2)cc1)CCC.O(c1ccc(/N=N/c2ccncc2)cc1)CCC
• Title of publication: Tuning the photonic properties of chiral nematic mesoporous organosilica with hydrogen-bonded liquid-crystalline assemblies
• Authors of publication: Michael Giese; Tim Krappitz; Ronald Y. Dong; Carl A. Michal; Wadood Y. Hamad; Brian O. Patrick; Mark J. MacLachlan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 1537 - 1545
• a: 12.4651 ± 0.0011 Å
• b: 14.1037 ± 0.0012 Å
• c: 24.879 ± 0.002 Å
• α: 90°
• β: 98.502 ± 0.002°
• γ: 90°
• Cell volume: 4325.8 ± 0.6 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1171
• 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