Crystallography Open Database

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7249739 CIFC41 H29 Eu F12 N2 O9 S4P 1 21/c 110.2374; 23.0415; 19.8634
90; 104.574; 90
4534.7Assunção, Israel P.; Costa, Israel F.; Blois, Lucca; Felinto, Maria Claudia F. C.; Deflon, Victor M.; Ando, Rômulo A.; Malta, Oscar L.; Brito, Hermi F.
High red luminescence intensity under sunlight exposure of a PMMA polymer doped with a tetrakis Eu3+ β-diketonate complex containing a benzimidazolium counterion
RSC Advances, 2025, 15, 435-445
7249743 CIFC11 H8 Cl3 N3 OP 1 21/n 110.62874; 10.43514; 11.62031
90; 93.7149; 90
1286.13Nafie, Mohamed S.; Ali, M.; Alwehaibi, Moayad Abdullah; Alayyaf, Abdulmajeed Abdullah; Al-Muhanna, Muhanna K; Almuqati, Naif S.; Alghamdi, Abdullah A.; Haukka, Matti; Tariq, Syeda Sumayya; Ul-Haq, Zaheer; Barakat, Assem
Potent EGFR/PARP-1 inhibition by spirooxindole-triazole hybrids for targeted liver cancer therapy.
RSC advances, 2025, 15, 58-74
7249744 CIFC20 H12 Cl3 N3 O2P 1 21 17.6668; 13.8977; 9.5441
90; 111.742; 90
944.59Nafie, Mohamed S.; Ali, M.; Alwehaibi, Moayad Abdullah; Alayyaf, Abdulmajeed Abdullah; Al-Muhanna, Muhanna K; Almuqati, Naif S.; Alghamdi, Abdullah A.; Haukka, Matti; Tariq, Syeda Sumayya; Ul-Haq, Zaheer; Barakat, Assem
Potent EGFR/PARP-1 inhibition by spirooxindole-triazole hybrids for targeted liver cancer therapy.
RSC advances, 2025, 15, 58-74
7249745 CIFC20 H12 Cl3 N3 O SI 1 2/a 125.8395; 7.12869; 23.3863
90; 114.78; 90
3911.16Nafie, Mohamed S.; Ali, M.; Alwehaibi, Moayad Abdullah; Alayyaf, Abdulmajeed Abdullah; Al-Muhanna, Muhanna K; Almuqati, Naif S.; Alghamdi, Abdullah A.; Haukka, Matti; Tariq, Syeda Sumayya; Ul-Haq, Zaheer; Barakat, Assem
Potent EGFR/PARP-1 inhibition by spirooxindole-triazole hybrids for targeted liver cancer therapy.
RSC advances, 2025, 15, 58-74
7249763 CIFC42 H32 F3 N O3 P2 SC 1 2/c 125.4662; 13.0867; 24.1761
90; 114.318; 90
7342.3Montoli, Arianna; Dimasi, Alessandro; Guarnaccia, Miriana; Citarella, Andrea; Ronchi, Paolo; Blasi, Delia; Rossi, Sergio; Passarella, Daniele; Fasano, Valerio
Mechanistic insights into the base-mediated deuteration of pyridyl phosphonium and ammonium salts
RSC Advances, 2025, 15, 870-874
7249771 CIFC26 H23.57 N3 O5.29P 1 21/c 16.1137; 24.053; 15.7613
90; 92.357; 90
2315.8Ali, Muhammad Imran; Hussain, Javid; Anwar, Muhammad Usman; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam
Intramolecular noncovalent C-bonding driven conformational preference in spiroisatin-based N-acyl hydrazones
RSC Advances, 2025, 15, 1152-1162
7249772 CIFC19 H16 N4 O6P b c a11.3766; 15.4494; 20.4864
90; 90; 90
3600.7Ali, Muhammad Imran; Hussain, Javid; Anwar, Muhammad Usman; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam
Intramolecular noncovalent C-bonding driven conformational preference in spiroisatin-based N-acyl hydrazones
RSC Advances, 2025, 15, 1152-1162
7249773 CIFC19 H17 N3 O5P 1 21/c 112.995; 14.11; 9.66
90; 101.684; 90
1734.6Ali, Muhammad Imran; Hussain, Javid; Anwar, Muhammad Usman; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam
Intramolecular noncovalent C-bonding driven conformational preference in spiroisatin-based N-acyl hydrazones
RSC Advances, 2025, 15, 1152-1162
7249784 CIFC30 H29 N3 O5P -19.9366; 10.1419; 14.5001
96.998; 94.577; 111.265
1339.43Kajtár, Mihály; Király, Sándor Balázs; Bényei, Attila; Kiss-Szikszai, Attila; Kónya-Ábrahám, Anita; Horváth, Lilla Borbála; Bősze, Szilvia; Kotschy, Andras; Paczal, Attila; Kurtán, Tibor
Knoevenagel-IMHDA and -IMSDA sequences for the synthesis of chiral condensed O,N-, S,N- and N-heterocycles
RSC Advances, 2025, 15, 1230-1248
7249785 CIFC20 H23 N O3P -15.8551; 10.1414; 15.2595
106.479; 96.585; 95.737
854.75Kajtár, Mihály; Király, Sándor Balázs; Bényei, Attila; Kiss-Szikszai, Attila; Kónya-Ábrahám, Anita; Horváth, Lilla Borbála; Bősze, Szilvia; Kotschy, Andras; Paczal, Attila; Kurtán, Tibor
Knoevenagel-IMHDA and -IMSDA sequences for the synthesis of chiral condensed O,N-, S,N- and N-heterocycles
RSC Advances, 2025, 15, 1230-1248
7249786 CIFC13 H10 N2 O2P 1 21/c 18.9333; 10.9751; 11.0707
90; 90.371; 90
1085.39Mukhia, Munna; Rai, Sagar; Rai, Yachna; Chakraborty, Koushik; Dey, Sangita; Tiwary, Bipransh Kumar; Brahman, Dhiraj; Kumar, Anoop; Pradhan, Kiran
Scalable ultrasound-assisted synthesis of hydroxy imidazole N-oxides and evaluation of their anti-proliferative activities; mechanistic insights into the deoximation of dioximes
RSC Advances, 2025, 15, 938-946
7249792 CIFC12 H11 N3 O4P -16.4229; 7.1501; 13.024
74.165; 84.153; 86.204
571.97Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta
Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions
RSC Advances, 2025, 15, 1514-1526
7249793 CIFC15 H16 N2 O2P 21 21 215.1916; 8.5358; 29.4619
90; 90; 90
1305.59Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta
Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions
RSC Advances, 2025, 15, 1514-1526
7249794 CIFC14 H14 N2 O2P 1 21/c 126.7493; 5.8066; 7.7294
90; 95.511; 90
1195Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta
Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions
RSC Advances, 2025, 15, 1514-1526
7249795 CIFC14 H13 N3 O3P 1 21/c 114.307; 7.2909; 13.4037
90; 114.076; 90
1276.52Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta
Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions
RSC Advances, 2025, 15, 1514-1526
7249796 CIFC18 H21 N3 O2P 21 21 215.9786; 7.2442; 36.294
90; 90; 90
1571.9Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta
Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions
RSC Advances, 2025, 15, 1514-1526
7249797 CIFC16 H15 N3 O3P 1 21/c 116.203; 13.0346; 6.7663
90; 94.055; 90
1425.46Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta
Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions
RSC Advances, 2025, 15, 1514-1526
7249798 CIFC15 H15 Br N2 OP 21 21 215.304; 8.7988; 29.2208
90; 90; 90
1363.7Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta
Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions
RSC Advances, 2025, 15, 1514-1526
7249799 CIFC14 H12 Cl2 N2 OP 1 21/c 14.6156; 9.4927; 30.124
90; 93.547; 90
1317.34Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta
Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions
RSC Advances, 2025, 15, 1514-1526
7249800 CIFC12 H11 N3 O3 SP 1 21/n 19.9238; 23.4635; 11.492
90; 105.805; 90
2574.72Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta
Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions
RSC Advances, 2025, 15, 1514-1526
7249801 CIFC16 H19 N3 OP 1 21 111.9508; 7.2947; 16.1641
90; 97.896; 90
1395.79Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta
Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions
RSC Advances, 2025, 15, 1514-1526
7249815 CIFC15 H16 N2 O2P -15.4192; 15.6201; 16.4094
70.796; 87.714; 83.915
1304.3Zhang, Zhou-Tian-Le; Ren, Zhen; Su, Xiaoyu; Xie, Tian-Peng; Yi, Mengzhuo; Zhou, Hao; Yin, Min; Ding, Zhong-Tao
Genome mining of albocandins A–E from Streptomyces sp. YINM00030
RSC Advances, 2025, 15, 1805-1812
7249816 CIFC15 H18 N2 O2P 21 21 216.1179; 8.0879; 27.871
90; 90; 90
1379.08Zhang, Zhou-Tian-Le; Ren, Zhen; Su, Xiaoyu; Xie, Tian-Peng; Yi, Mengzhuo; Zhou, Hao; Yin, Min; Ding, Zhong-Tao
Genome mining of albocandins A–E from Streptomyces sp. YINM00030
RSC Advances, 2025, 15, 1805-1812
7249817 CIFC19 H16 N2 O5P -18.2266; 8.5847; 12.5866
106.141; 103.673; 100.32
800.6Aly, Ashraf A.; Abd El-Naby, Hisham A.; Ahmed, Essam Kh.; Gedamy, Sageda A.; Rissanen, Kari; Nieger, Martin; Brown, Alan B.; Shehat, Michael G.; Shaaban, Marwa M.; Atta, Amal
Microwave-assisted synthesis and in vitro and in silico studies of pyrano[3,2-c]quinoline-3-carboxylates as dual acting anti-cancer and anti-microbial agents and potential topoisomerase II and DNA-gyrase inhibitors
RSC Advances, 2025, 15, 1941-1956
7249818 CIFC20 H18 N2 O5P -17.9731; 8.1795; 28.7599
91.662; 90.972; 115.979
1684.46Aly, Ashraf A.; Abd El-Naby, Hisham A.; Ahmed, Essam Kh.; Gedamy, Sageda A.; Rissanen, Kari; Nieger, Martin; Brown, Alan B.; Shehat, Michael G.; Shaaban, Marwa M.; Atta, Amal
Microwave-assisted synthesis and in vitro and in silico studies of pyrano[3,2-c]quinoline-3-carboxylates as dual acting anti-cancer and anti-microbial agents and potential topoisomerase II and DNA-gyrase inhibitors
RSC Advances, 2025, 15, 1941-1956
7249821 CIFC15 H11 Cl F N O3C 1 2/c 114.9992; 9.5502; 20.3352
90; 100.192; 90
2866.96Patel, Upendra Kumar; Alka,; Tiwari, Punit; Tilak, Ragini; Joshi, Gaurav; Kumar, Roshan; Agarwal, Alka
1,2,3-Triazole-tethered fluoroquinolone analogues with antibacterial potential: synthesis and in vitro cytotoxicity investigations
RSC Advances, 2025, 15, 1896-1914
7249822 CIFC14 H11 N3 OP b c a13.4786; 7.2734; 24.637
90; 90; 90
2415.3Cifuentes, Carlos; Bravo, Nestor; Restrepo, Daniel; Macías, Mario; Portilla, Jaime
Isomerization of pirazolopyrimidines to pyrazolopyridines by ring-opening/closing reaction in aqueous NaOH
RSC Advances, 2025, 15, 2078-2085
7249823 CIFC22 H15 Cl2 N3 OP 1 21/c 17.067; 23.637; 11.1905
90; 93.717; 90
1865.4Cifuentes, Carlos; Bravo, Nestor; Restrepo, Daniel; Macías, Mario; Portilla, Jaime
Isomerization of pirazolopyrimidines to pyrazolopyridines by ring-opening/closing reaction in aqueous NaOH
RSC Advances, 2025, 15, 2078-2085
7249824 CIFC15 H13 N3 OP -16.916; 8.9551; 10.3411
95.113; 98.415; 90.754
630.82Cifuentes, Carlos; Bravo, Nestor; Restrepo, Daniel; Macías, Mario; Portilla, Jaime
Isomerization of pirazolopyrimidines to pyrazolopyridines by ring-opening/closing reaction in aqueous NaOH
RSC Advances, 2025, 15, 2078-2085
7249825 CIFC14 H10 Cl N3 OP -16.1624; 9.2368; 11.2678
89.961; 81.987; 79.955
625.19Cifuentes, Carlos; Bravo, Nestor; Restrepo, Daniel; Macías, Mario; Portilla, Jaime
Isomerization of pirazolopyrimidines to pyrazolopyridines by ring-opening/closing reaction in aqueous NaOH
RSC Advances, 2025, 15, 2078-2085
7249859 CIFC30 H26.2 N4 O12.1 Zn2P 1 21/c 122.1729; 8.4424; 17.3538
90; 112.963; 90
2991.1Guo, Yanhui; Zhu, Jiayi; Dai, Yumei; Chen, Long; Li, Weibing; Yuan, Zihang; Zhou, Jie; Tang, En
A cost-effective and innovative detector for iron ions.
RSC advances, 2025, 15, 2645-2650
7249860 CIFC25 H17 Cl2 N O3P 21 21 219.917; 13.467; 16.34
90; 90; 90
2182.2Farajpour, Behnaz; Kakaie, Marzie; Hussain, Faiq H. S.; Rakaee, Fataneh; Moradkhani, Fatemeh; Shiri, Morteza
One-pot reaction of 3-vinylchromones, aromatic aldehydes, and ammonium acetate: an efficient approach to highly functionalized 1,6-dihydropyridine derivatives.
RSC advances, 2025, 15, 2602-2607
7249861 CIFC25 H17 Cl2 N O3P 21 21 219.894; 13.487; 16.351
90; 90; 90
2181.9Farajpour, Behnaz; Kakaie, Marzie; Hussain, Faiq H. S.; Rakaee, Fataneh; Moradkhani, Fatemeh; Shiri, Morteza
One-pot reaction of 3-vinylchromones, aromatic aldehydes, and ammonium acetate: an efficient approach to highly functionalized 1,6-dihydropyridine derivatives.
RSC advances, 2025, 15, 2602-2607
7249881 CIFC3.33 H2.8 Cl0.13 N0.27 O0.13P -19.4927; 10.3632; 11.6644
83.912; 69.508; 81.211
1060.54Mishra, Rudra Narayan; Ahemad, Mohammed Ansar; Panda, Jasmine; Nayak, Sabita; Mohapatra, Seetaram; Sahoo, Chita Ranjan
Ligand-free palladium-catalyzed synthesis of 3-(2,2-dialkyl-2<i>H</i>-chromen-4-yl)-2-phenylimidazo[1,2-<i>a</i>]pyridine derivatives: molecular docking investigation of their potential as DNA gyrase inhibitors and evaluation of their antibacterial activities.
RSC advances, 2025, 15, 2930-2946
7249900 CIFC15 H16 N3 O5 VI -418.1755; 18.1755; 10.3739
90; 90; 90
3427.01Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja
High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.
RSC advances, 2025, 15, 3547-3561
7249901 CIFC16 H16 N3 O4 VP b c a12.9499; 11.4867; 21.6234
90; 90; 90
3216.52Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja
High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.
RSC advances, 2025, 15, 3547-3561
7249902 CIFC35.67 H28.5 N6 O8 V2I b c a21.2703; 29.7362; 22.5536
90; 90; 90
14265.1Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja
High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.
RSC advances, 2025, 15, 3547-3561
7249903 CIFC28.5 H26 N6 O8.5 V2I b c a22.0687; 20.5886; 26.842
90; 90; 90
12196Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja
High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.
RSC advances, 2025, 15, 3547-3561
7249904 CIFC17 H18 N3 O4 VP b c a12.5068; 11.7094; 23.1275
90; 90; 90
3386.96Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja
High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.
RSC advances, 2025, 15, 3547-3561
7249905 CIFC31.34 H26 N6 O8.5 V2I b c a20.6605; 22.3137; 29.1125
90; 90; 90
13421.2Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja
High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.
RSC advances, 2025, 15, 3547-3561
7249906 CIFC15 H14 N3 O4 VP b c a13.05222; 11.39032; 21.5545
90; 90; 90
3204.49Topić, Edi; Sarjanović, Josipa; Musija, Danijela; Mandarić, Mirna; Hrenar, Tomica; Pisk, Jana; Vrdoljak, Višnja
High-valent oxovanadium metallosupramolecular species as catalysts for the oxidation of benzyl alcohol derivatives.
RSC advances, 2025, 15, 3547-3561
7249907 CIFC9 H14 Cl N3 O Pt SP n a 2111.6799; 8.0262; 13.2131
90; 90; 90
1238.66O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel
Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.
RSC advances, 2025, 15, 3427-3438
7249908 CIFC11 H20 Cl2 N4 O2 Pt2 S2P 1 21/n 19.634; 9.422; 21.15
90; 96.86; 90
1906O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel
Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.
RSC advances, 2025, 15, 3427-3438
7249909 CIFC28 H44 I3 N9 O6 Pt2P 1 21/c 115.3526; 15.601; 16.0353
90; 94.2679; 90
3830.1O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel
Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.
RSC advances, 2025, 15, 3427-3438
7249910 CIFC19 H35.46 Cl2 N6 O7.73 Pt2 S2P n a 2121.4585; 12.2662; 11.1763
90; 90; 90
2941.8O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel
Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.
RSC advances, 2025, 15, 3427-3438
7249911 CIFC11 H16 Cl N3 O Pt SP b c a11.811; 12.8065; 18.366
90; 90; 90
2778O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel
Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.
RSC advances, 2025, 15, 3427-3438
7249912 CIFC11 H17 Cl2 N3 O Pt SP 21 21 217.1928; 13.8777; 15.0416
90; 90; 90
1501.45O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel
Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.
RSC advances, 2025, 15, 3427-3438
7249913 CIFC13 H17 Cl2 N5 PtP 1 21/c 17.2417; 11.2409; 19.6167
90; 91.9052; 90
1595.98O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel
Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.
RSC advances, 2025, 15, 3427-3438
7249914 CIFC19 H30 Cl2 N6 O5 Pt2 S2P -111.0607; 11.0707; 12.6727
114.843; 93.568; 94.7534
1395.22O'Sullivan, Patrick; Previtali, Viola; Twamley, Brendan; Marmion, Celine J.; McDonald, Aidan R.; Rozas, Isabel
Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation.
RSC advances, 2025, 15, 3427-3438
7249915 CIFC42 H49 B N2 O4P 1 21/c 112.4567; 23.0603; 12.7814
90; 91.206; 90
3670.71Mansour, Ahmed M.; Mostafa, Gamal A. E.; Radacki, Krzysztof; Ali, Essam A.; Shehab, Ola R.
An insight into the structure of acebutolol tetraphenylborate: crystal structure and quantum chemical calculations.
RSC advances, 2025, 15, 3416-3426

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