Information card for entry 1501775

Structure parameters

• Formula: C36 H53 N O8
• Calculated formula: C36 H53 N O8
• SMILES: O1COc2c1cc1c(c2)CC[n+]2cc3c(c(ccc3cc12)OC)OC.O=C([O-])CCCCCCCCCCCCCCC.O.O
• Title of publication: Spontaneous formation of fluorescent nanofibers and reticulated solid from berberine palmitate: a new example of aggregation-induced emission enhancement in organic ion pairs.
• Authors of publication: Chahine, Joe; Saffon, Nathalie; Cantuel, Martine; Fery-Forgues, Suzanne
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2011
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 2844 - 2853
• a: 6.43 ± 0.002 Å
• b: 10.419 ± 0.004 Å
• c: 26.21 ± 0.01 Å
• α: 98.166 ± 0.014°
• β: 90.558 ± 0.015°
• γ: 91.15 ± 0.013°
• Cell volume: 1737.6 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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 all reflections: 0.3188
• Residual factor for significantly intense reflections: 0.1377
• Weighted residual factors for significantly intense reflections: 0.3269
• Weighted residual factors for all reflections included in the refinement: 0.4222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No