Information card for entry 7228611

Structure parameters

• Formula: C22 H28 N4 O0
• Calculated formula: C22 H28 N4
• SMILES: n1c2c(c(nc1N)c1ccncc1)CC([C@]13[C@@H]2C(C)([C@@H](C3)CC1)C)(C)C.n1c2c(c(nc1N)c1ccncc1)CC([C@@]13[C@H]2C(C)([C@H](C3)CC1)C)(C)C
• Title of publication: A novel hexahydroquinazolin-2-amine-based fluorescence sensor for Cu2+ from isolongifolanone and its biological applications
• Authors of publication: Wang, Zhonglong; Yang, Jinlai; Yang, Yiqin; Fang, Hua; Xu, Xu; Rui, Jian; Su, Fan; Xu, Haijun; Wang, Shifa
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 53
• Pages of publication: 33263
• a: 7.6253 ± 0.0003 Å
• b: 10.0149 ± 0.0004 Å
• c: 12.9039 ± 0.0005 Å
• α: 95.695 ± 0.002°
• β: 93.482 ± 0.002°
• γ: 97.522 ± 0.002°
• Cell volume: 969.41 ± 0.07 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.1363
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No