Information card for entry 1563414

Structure parameters

• Formula: C33 H50 N4 O4
• Calculated formula: C33 H50 N4 O4
• SMILES: O=C1N(C(=O)c2c3c1ccc(NCCCCCCCCCCN1CCOCC1)c3ccc2)CCCC.O=CN(C)C
• 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: 4.92 ± 0.0004 Å
• b: 16.6625 ± 0.0017 Å
• c: 18.9799 ± 0.0017 Å
• α: 87.245 ± 0.003°
• β: 87.143 ± 0.003°
• γ: 86.58 ± 0.003°
• Cell volume: 1549.7 ± 0.2 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 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: 0.1653
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No