Information card for entry 4516958

Structure parameters

• Formula: C41 H43 N5 O4
• Calculated formula: C41 H43 N5 O4
• Title of publication: Rare Crystal Structure of Open Spirolactam Ring along with the Closed-Ring Form of a Rhodamine Derivative: Sensing of Cu²⁺ Ions from Spinach.
• Authors of publication: Das, Sujoy; Rissanen, Kari; Sahoo, Prithidipa
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 5270 - 5274
• a: 11.256 ± 0.003 Å
• b: 11.921 ± 0.003 Å
• c: 15.208 ± 0.004 Å
• α: 69.231 ± 0.013°
• β: 71.022 ± 0.011°
• γ: 73.095 ± 0.011°
• Cell volume: 1768.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1571
• Residual factor for significantly intense reflections: 0.1276
• Weighted residual factors for significantly intense reflections: 0.3169
• Weighted residual factors for all reflections included in the refinement: 0.3579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No