Information card for entry 1563413

Structure parameters

• Formula: C25 H33 N3 O3
• Calculated formula: C25 H33 N3 O3
• SMILES: N1(CCCC)C(=O)c2c3c(C1=O)cccc3c(NCCCCCN1CCOCC1)cc2
• Title of publication: Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.
• Authors of publication: Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 28
• Pages of publication: 9630 - 9644
• a: 9.5249 ± 0.0005 Å
• b: 9.5481 ± 0.0006 Å
• c: 12.5232 ± 0.0007 Å
• α: 90.01 ± 0.004°
• β: 96.492 ± 0.004°
• γ: 105.918 ± 0.004°
• Cell volume: 1087.64 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1185
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No