Crystallography Open Database

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7250228 CIFC34 H39 N3 Ni O6P 1 21 19.4105; 11.8727; 14.0699
90; 95.565; 90
1564.59Khachatryan, Emma A.; Sahakyan, Lusine Yu.; Tovmasyan, Anna S.; Melikyan, Gagik S.; Panosyan, Henrik A.; Mkrtchyan, Anna F.; Shibata, Norio; Malkov, Andrei V.; Saghyan, Ashot S.
Sequential Michael addition, cross-coupling and [3 + 2] cycloaddition reactions within the coordination sphere of chiral Ni(ii) Schiff base complexes derived from dehydroamino acids: pathways to the asymmetric synthesis of structurally diverse O-substituted serine and threonine analogs
RSC Advances, 2025, 15, 10558-10564
7250227 CIFC10 H7 Br N4 OP 1 21/c 112.7279; 11.0272; 7.6786
90; 95.347; 90
1073.03Perumal, Karuppaiah; Shanthi, Markabandhu; Hemamalini, Vijayakumar; Shankar, Bhaskaran; Ramesh, Subburethinam
Catalyst-free synthesis of 1,2,3-triazole-N-oxide derivatives using tert-butyl nitrite: a novel strategy and synthetic applications
RSC Advances, 2025, 15, 10574-10581
7250226 CIFC20 H34 Au O9 P SP 1 21 110.0684; 8.1314; 16.131
90; 106.247; 90
1267.91Ziemniak, Marcin; Trzybiński, Damian; Pawlędzio, Sylwia; Filipowicz, Gabriela; Pająk-Tarnacka, Beata; Priebe, Waldemar; Woźniak, Krzysztof
Crystal structure and polymorphic forms of auranofin revisited.
RSC advances, 2025, 15, 10378-10389
7250225 CIFCa2 Ga1.87 Mn0.13 O6 SrF 4 3 215.4894; 15.4894; 15.4894
90; 90; 90
3716.2Hikita, Wataru; Iwaki, Masato; Watanabe, Mizuki; Uematsu, Kazuyoshi; Sato, Mineo; Toda, Kenji
Novel efficient deep-red emitting phosphor SrCa<sub>2</sub>Ga<sub>2</sub>O<sub>6</sub>:Mn<sup>4+</sup> with tululite-related structure.
RSC advances, 2025, 15, 7039-7049
7250215 CIFC59 H45 Cl3 N6 O4 ZnP 1 21/c 113.0739; 33.003; 11.6472
90; 98.352; 90
4972.2Bouicha, Mohamed Achraf; Mabrouk, Chama; Gassoumi, Bouzid; Barhoumi, Houcine; Molton, Florian; Loiseau, Frédérique; Roisnel, Thierry; Medina, Aracely Serrano; Cornejo Bravo, Jose Manuel; Lopez-Maldonado, Eduardo Alberto; Nasri, Habib
New zinc(ii) metalloporphyrin: molecular structure, spectroscopic characterization, electrochemical sensing of dopamine, and catalytic dye degradation.
RSC advances, 2025, 15, 9810-9827
7250199 CIFC20 H28 O5P 21 21 2111.299; 11.3809; 14.0929
90; 90; 90
1812.25Nhi Nguyen, Thi Uyen; Kung, Chen-Chen; Liaw, Chia-Ching; Lin, Yu-Chi; Chen, You-Ying; Zheng, Li-Guo; Chien, Su-Ying; Tang, Chi-Chieh; Weng, Jing-Ru; Su, Jui-Hsin; Sheu, Jyh-Horng; Sung, Ping-Jyun
Sarcophytonin H: a novel endoperoxide-containing dihydrofuranocembranoid from an octocoral Sarcophyton species
RSC Advances, 2025, 15, 9454-9460
7250198 CIFC30 H52 O5P 17.3902; 11.2559; 34.3983
97.376; 90.692; 90.181
2837.4Nhi Nguyen, Thi Uyen; Kung, Chen-Chen; Liaw, Chia-Ching; Lin, Yu-Chi; Chen, You-Ying; Zheng, Li-Guo; Chien, Su-Ying; Tang, Chi-Chieh; Weng, Jing-Ru; Su, Jui-Hsin; Sheu, Jyh-Horng; Sung, Ping-Jyun
Sarcophytonin H: a novel endoperoxide-containing dihydrofuranocembranoid from an octocoral Sarcophyton species
RSC Advances, 2025, 15, 9454-9460
7250183 CIFC20 H32 Al Cl4 NP 21 21 2111.4289; 14.0183; 15.0816
90; 90; 90
2416.3Francis, Maria; Shinde, Kishor; Roy, Sudipta
Theoretical and experimental studies on stability, bonding and isolation of elusive bis-(dichloro-aluminium) oxides supported by donor-base ligands
RSC Advances, 2025, 15, 9208-9215
7250182 CIFC47 H69 Al2 Cl4 N2 OP -19.0911; 10.3317; 13.0377
86.304; 87.913; 80.022
1203.16Francis, Maria; Shinde, Kishor; Roy, Sudipta
Theoretical and experimental studies on stability, bonding and isolation of elusive bis-(dichloro-aluminium) oxides supported by donor-base ligands
RSC Advances, 2025, 15, 9208-9215
7250173 CIFC21 H15 N OP b c a12.5288; 14.6591; 16.0719
90; 90; 90
2951.78Yang, Fang; Wang, Lin-Lin; Liu, Yu-Hua; Wu, Ke-Xin; Chen, Zi-Sheng; Ji, Kegong
Brønsted acid-catalyzed two-component tandem condensation and cycloisomerization to 6(2H)-isoquinolinones
RSC Advances, 2025, 15, 8913-8917
7250172 CIFC32 H29 N O6 SP n m a8.1919; 27.329; 11.613
90; 90; 90
2599.9Lin, Mengdi; Zhang, Shilong; Liang, Xuefeng; Shan, Zhenhua; Yang, Wenqian; Xie, Haijiao
Modulation of fluorescence in novel A–D–A type phenothiazine derivatives via oxidation
RSC Advances, 2025, 15, 8851-8854
7250171 CIFC32 H29 N O4 SP n m a9.6238; 25.2734; 10.8726
90; 90; 90
2644.5Lin, Mengdi; Zhang, Shilong; Liang, Xuefeng; Shan, Zhenhua; Yang, Wenqian; Xie, Haijiao
Modulation of fluorescence in novel A–D–A type phenothiazine derivatives via oxidation
RSC Advances, 2025, 15, 8851-8854
7250131 CIFC19 H21 N5 O3 SP 1 21/c 18.6243; 20.6113; 10.7734
90; 102.261; 90
1871.4Polo-Cuadrado, Efraín; Acosta-Quiroga, Karen; Rojas-Peña, Cristian; Rodriguez-Nuñez, Yeray A.; Blanco-Acuña, Edgard Fabián; Lopez, Jhon J.; Brito, Iván; Cisterna, Jonathan; Alderete, Joel B.; Gutiérrez, Margarita
Regioselective cyclocondensations with thiobarbituric acid: spirocyclic and azocine products, X-ray characterization, and antioxidant evaluation
RSC Advances, 2025, 15, 8609-8621
7250126 CIFC31 H32 O8P 1 21/c 126.1553; 11.0118; 8.9646
90; 91.581; 90
2580.97Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun
Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state
RSC Advances, 2025, 15, 8293-8299
7250125 CIFC30 H24 O2P 1 21/c 122.5743; 8.0225; 11.7565
90; 101.648; 90
2085.28Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun
Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state
RSC Advances, 2025, 15, 8293-8299
7250124 CIFC32 H28 O4C 1 2/c 129.0799; 14.4055; 22.9347
90; 92.971; 90
9594.67Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun
Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state
RSC Advances, 2025, 15, 8293-8299
7250123 CIFC11.2 H8 O0.4P 1 c 123.7924; 8.0783; 11.8488
90; 97.077; 90
2260.01Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun
Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state
RSC Advances, 2025, 15, 8293-8299
7250073 CIFC15 H15 N OP 1 21/n 17.33993; 8.41329; 19.687
90; 94.848; 90
1211.38Sroor, Farid M.; Terme, Thierry; Vanelle, Patrice; Spitz, Cédric
Three-step process for the synthesis of 10,11-dihydro-5H-dibenzo[b,f]azepin-10-ol derivatives
RSC Advances, 2025, 15, 6737-6741
7250043 CIFC18 H20 N4 O5 ZnP -19.037; 10.049; 10.795
80.44; 78.53; 79.74
936.7Heydari, Neda; Bikas, Rahman; Lis, Tadeusz
Chemical CO2 fixation by a heterogenised Zn(ii)-hydrazone complex
RSC Advances, 2025, 15, 5977-5988
7250042 CIFC13 H13 N6 O3P 1 21/n 18.0047; 21.1874; 8.0296
90; 104.314; 90
1319.53Kamel, Monica G.; Sroor, Farid M.; Mahmoud, Khaled; Shafey, Heba I.; Hassaneen, Hamdi M.; Vendier, Laure
Utility of 6-aza-2-thiothymine in the synthesis of novel [1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one derivatives: synthesis, structure elucidation, molecular docking and in vitro anti-lung cancer activity
RSC Advances, 2025, 15, 6015-6031
7250001 CIFC17 H10 B F7 N2P c c a12.0714; 21.4513; 6.257
90; 90; 90
1620.23Żubertowski, Jakub; Rapp, Magdalena; Dolicher, Jan; Rubiś, Błażej; Dembska, Anna
Investigation of simple BODIPY dyes as G-quadruplex recognizing ligands.
RSC advances, 2025, 15, 5220-5231
7249950 CIFC20 H28 O3P 21 21 2110.9787; 11.8275; 13.8005
90; 90; 90
1792Lai, Kuei-Hung; Chung, Hsiao-Ling; Chen, You-Ying; Zheng, Li-Guo; Su, Jui-Hsin; El-Shazly, Mohamed
Insights into the structural diversity of cembranoids from Sarcophyton glaucum and their bioactivity
RSC Advances, 2025, 15, 4702-4707
7249949 CIFC20 H28 O3P 21 21 2110.9227; 11.4366; 14.0387
90; 90; 90
1753.69Lai, Kuei-Hung; Chung, Hsiao-Ling; Chen, You-Ying; Zheng, Li-Guo; Su, Jui-Hsin; El-Shazly, Mohamed
Insights into the structural diversity of cembranoids from Sarcophyton glaucum and their bioactivity
RSC Advances, 2025, 15, 4702-4707
7249948 CIFC20 H30 O3P 21 21 217.6524; 13.8446; 17.0676
90; 90; 90
1808.22Lai, Kuei-Hung; Chung, Hsiao-Ling; Chen, You-Ying; Zheng, Li-Guo; Su, Jui-Hsin; El-Shazly, Mohamed
Insights into the structural diversity of cembranoids from Sarcophyton glaucum and their bioactivity
RSC Advances, 2025, 15, 4702-4707
7249935 CIFC14 H9 N5P 1 21/c 110.4775; 7.529; 15.5021
90; 94.249; 90
1219.52Sharma, Vanshika; Dutta, Srishti; Sahu, Devanand; Pandey, Abhilash; Kumar, Dishen; Das, Sanchita; Patra, Goutam Kumar
A new quinoline-based fluorescent-colorimetric chemosensor for sensitive and selective “on–off” detection of Pb2+ ions
RSC Advances, 2025, 15, 4236-4249
7249934 CIFC6 H8 O4P 21 21 216.2271; 8.9744; 10.7641
90; 90; 90
601.55Chen, Zhifei; Ning, Yibo; Li, Lei; Cao, Xueying; Xi, Gaolei; Cheng, Dongxu; Wang, Qingfu; Lu, Changtong; Yang, Kai
Production of 1,4:3,6-dianhydro-α-d-glucopyranose from methyl 3,6-anhydro-α-d-glucopyranoside and its taste identification
RSC Advances, 2025, 15, 4481-4486
7249923 CIFC56 H58 Ni4 O17P -111.6867; 13.294; 18.419
76.144; 74.388; 82.908
2670.5Haque, Imdadul; Enamullah, Mohammed; Jhumur, Nisat Taslum; Sidhu, Baldeep K.; Herbert, David E.; Haj Hassani Sohi, Takin; Havlíček, Lubomír; Nemec, Ivan; Janiak, Christoph
Ferromagnetically coupled tetranuclear Ni(ii)-2-oxy-aceto- or benzo-phenonate complexes
RSC Advances, 2025, 15, 4250-4261
7249922 CIFC40 H56 Ni4 O16P 1 21/c 119.08705; 15.151; 15.82527
90; 95.2175; 90
4557.51Haque, Imdadul; Enamullah, Mohammed; Jhumur, Nisat Taslum; Sidhu, Baldeep K.; Herbert, David E.; Haj Hassani Sohi, Takin; Havlíček, Lubomír; Nemec, Ivan; Janiak, Christoph
Ferromagnetically coupled tetranuclear Ni(ii)-2-oxy-aceto- or benzo-phenonate complexes
RSC Advances, 2025, 15, 4250-4261
7249916 CIFC34 H34 N2 O6P 1 21/n 111.346; 16.9005; 15.8105
90; 106.296; 90
2909.9Bouone, Yousra Ouafa; Bouzina, Abdeslem; Djemel, Abdelhak; Bardaweel, Sanaa K.; Ibrahim-Ouali, Malika; Bakchiche, Boulanouar; Benaceur, Farouk; Aouf, Nour-Eddine
Investigation of the anticancer activity of modified 4-hydroxyquinolone analogues: in vitro and in silico studies
RSC Advances, 2025, 15, 3704-3720
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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

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