Information card for entry 1563415

Structure parameters

• Formula: C23 H29 N3 O3
• Calculated formula: C23 H29 N3 O3
• SMILES: O=C1N(C(=O)c2c3c1cccc3c(NCCCN1CCOCC1)cc2)CCCC
• 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: 24.1436 ± 0.0007 Å
• b: 9.2164 ± 0.0003 Å
• c: 18.0242 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4010.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No