Crystallography Open Database

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7250570 CIFC23.3 H28.6 Cl0.6 Fe I2 N5 O2.5 SP 1 21/c 19.9536; 28.9081; 10.6554
90; 109.24; 90
2894.7Ali, Basharat; Boonprab, Theerapoom; Thammasangwan, Warisa; Kaewmorakot, Sittipong; Karuwan, Chanpen; Tuantranont, Adisorn; Chastanet, Guillaume; Harding, David J.; Harding, Phimphaka
Influence of a spin crossover iron(iii) complex on the detection of phenylenediamines of graphene-modified screen printed electrodes
RSC Advances, 2025, 15, 20760-20769
7250572 CIFC31 H32 O3P 21 21 216.4947; 13.8436; 27.5171
90; 90; 90
2474.06Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.
An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons
RSC Advances, 2025, 15, 20935-20943
7250573 CIFC21 H25 Br O3P 1 21 111.2895; 6.4204; 13.5684
90; 100.462; 90
967.13Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.
An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons
RSC Advances, 2025, 15, 20935-20943
7250574 CIFC23 H28 O3P 1 21 111.6154; 6.2473; 13.6735
90; 99.808; 90
977.71Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.
An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons
RSC Advances, 2025, 15, 20935-20943
7250575 CIFC29 H31 Br O3P 1 21 15.98182; 7.54889; 27.9195
90; 93.2965; 90
1258.65Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.
An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons
RSC Advances, 2025, 15, 20935-20943
7250576 CIFC58 H58 Br2 O6P 1 21 19.2662; 8.5188; 31.277
90; 93.481; 90
2464.35Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.
An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons
RSC Advances, 2025, 15, 20935-20943
7250577 CIFC68 H62 O6I 1 2 124.4751; 14.97496; 30.655
90; 151.936; 90
5286Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.
An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons
RSC Advances, 2025, 15, 20935-20943
7250580 CIFC18 H18 Br N O2 SP 1 21/c 111.378; 8.0513; 19.674
90; 106.635; 90
1726.9Bora, Surjya Kumar; Saikia, Anil K.
Selective synthesis of gem-dihalopiperidines and 4-halo-1,2,3,6-tetrahydropyridines from halogen substituted homoallylic benzenesulfonamides and aldehydes
RSC Advances, 2025, 15, 21257-21268
7250581 CIFC18 H18 Br2 Cl N O2 SP 1 21/c 111.4025; 15.3012; 11.8426
90; 112.487; 90
1909.1Bora, Surjya Kumar; Saikia, Anil K.
Selective synthesis of gem-dihalopiperidines and 4-halo-1,2,3,6-tetrahydropyridines from halogen substituted homoallylic benzenesulfonamides and aldehydes
RSC Advances, 2025, 15, 21257-21268
7250582 CIFC19 H21 Br Cl N O2 SC 1 c 120.319; 10.44; 9.3782
90; 100.424; 90
1956.6Bora, Surjya Kumar; Saikia, Anil K.
Selective synthesis of gem-dihalopiperidines and 4-halo-1,2,3,6-tetrahydropyridines from halogen substituted homoallylic benzenesulfonamides and aldehydes
RSC Advances, 2025, 15, 21257-21268
7250584 CIFC48 H28 N4 O10 Zn3P 1 2/m 16.6; 16.6; 12.4
90; 100.1; 90
1337Ibrahim, May R.; Alneyadi, Shaikha; Truong, Khai-Nghi; Maghraby, Hesham El-; Abdellah, Mohamed; El-Zohry, Ahmed M.; Wuttke, Stefan; Greish, Yaser
Design of a Zn-based porphyrin MOF biosensor for fluorometric detection of HER2 as a breast cancer biomarker
RSC Advances, 2025, 15, 21479-21492
7250590 CIFC16 H23 N O3P 1 21 15.7962; 9.4231; 13.7625
90; 101.43; 90
736.77Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming
Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction
RSC Advances, 2025, 15, 21133-21141
7250591 CIFC16 H22 F N O3P 21 21 215.5276; 22.2991; 12.726
90; 90; 90
1568.61Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming
Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction
RSC Advances, 2025, 15, 21133-21141
7250592 CIFC16 H22 F N O3P 21 21 216.08342; 12.36031; 21.0393
90; 90; 90
1582.01Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming
Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction
RSC Advances, 2025, 15, 21133-21141
7250593 CIFC16 H22 F N O3P 21 21 216.0869; 12.398; 20.9757
90; 90; 90
1582.94Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming
Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction
RSC Advances, 2025, 15, 21133-21141
7250594 CIFC16 H22 N O3P 21 21 216.2527; 13.3719; 18.7005
90; 90; 90
1563.6Chen, Jing; Chen, Xi; Song, Jinsong; Zhang, Hongliu; Yang, Hongjiang; Feng, Jinhui; Wu, Qiaqing; Zhu, Dunming
Enzymatic synthesis of four stereoisomers of 3-substituted-4-hydroxypiperidines by carbonyl reductase-catalyzed reduction
RSC Advances, 2025, 15, 21133-21141
7250595 CIFC54 H52 N6 O5P 1 21/c 110.9888; 18.4115; 12.1884
90; 109.374; 90
2326.32Zhang, Zhenwei; Zhang, Xiaoxue; Wang, Hao; Xie, Geyao; Zhou, Yu
Catalytic system-controlled divergent reactions of pyrazolidinones with 3-alkynyl-3-hydroxyisoindolinones to construct diversified nitrogen-containing heterocyclic scaffolds
RSC Advances, 2025, 15, 21872-21878
7250596 CIFC27 H25 N3 O3P b c a19.2491; 9.9787; 22.4268
90; 90; 90
4307.8Zhang, Zhenwei; Zhang, Xiaoxue; Wang, Hao; Xie, Geyao; Zhou, Yu
Catalytic system-controlled divergent reactions of pyrazolidinones with 3-alkynyl-3-hydroxyisoindolinones to construct diversified nitrogen-containing heterocyclic scaffolds
RSC Advances, 2025, 15, 21872-21878
7250597 CIFC55 H48 Cl2 N6 O4P 1 n 114.0724; 41.3599; 16.7154
90; 102.813; 90
9486.7Zhang, Zhenwei; Zhang, Xiaoxue; Wang, Hao; Xie, Geyao; Zhou, Yu
Catalytic system-controlled divergent reactions of pyrazolidinones with 3-alkynyl-3-hydroxyisoindolinones to construct diversified nitrogen-containing heterocyclic scaffolds
RSC Advances, 2025, 15, 21872-21878
7250599 CIFC25 H22 F6 O4P 1 21/c 111.3402; 23.0483; 8.6428
90; 94.19; 90
2252.95Migliaccio, Analise C.; Weeks, Nathan J.; Iacono, Scott T.
Modularly prepared segmented fluorinated silicones and their anomalous microstructure dependent flow behavior.
RSC advances, 2025, 15, 21429-21438
7250600 CIFC36 H26 F12 O6P 1 21/n 110.9496; 8.8262; 18.0438
90; 106.697; 90
1670.29Migliaccio, Analise C.; Weeks, Nathan J.; Iacono, Scott T.
Modularly prepared segmented fluorinated silicones and their anomalous microstructure dependent flow behavior.
RSC advances, 2025, 15, 21429-21438
7250601 CIFC17 H12 F2 O4 SP 1 21/c 16.819; 14.7869; 14.7647
90; 91.279; 90
1488.4Jiang, Boye; Zhang, Juan; Wang, Boning; Zhou, Airui; Zou, Yan; Meng, Qingguo; Zhao, Qingjie; Chai, Xiaoyun; Gai, Conghao
Carbamothioate-mediated Selectfluor™ oxidation for the synthesis of benzenesulfonyl fluorides in chalcone derivatives
RSC Advances, 2025, 15, 22018-22022
7250612 CIFC0.98 H0.98 Ca0.02 Er0 N0.98 O0.98 Sn0.02P -19.3094; 15.956; 28.392
96.344; 90.243; 104.661
4052.8Wang, Xu; Fan, BinBin; Chen, Jing; Du, Jing; Pan, Dahai
Nanocage-based {SnEr2}-organic framework for high catalytic performance in cycloaddition of CO2 with epoxides and Knoevenagel condensation
RSC Advances, 2025, 15, 21914-21921
7250613 CIFC12 H28 N2 O4 P2 S2P -16.8399; 8.3288; 8.5473
84.974; 77.633; 87.946
473.72Khorramaki, Maliheh; Pourayoubi, Mehrdad; Darugar, Vahidreza; Vakili, Mohammad; Nečas, Marek; Akbari, Mahmood; Maaza, Malik
Competition among weak C–H⋯O/S/H interactions in the crystal structure of {(C2H5O)2P(S)}2N2C4H8 bis(thiophosphoramide): experimental/computational studies
RSC Advances, 2025, 15, 22671-22681
7250658 CIFC29 H21 F4 Ir N4 O2C 1 2/c 131.3021; 10.513; 15.6391
90; 90.53; 90
5146.3Behera, Suvasmita; Pradhan, Kahnu Charan; Barik, Sahadev; Sarkar, Moloy; Kumar, Jagadish; Dandapat, Jagneshwar; Pradhan, Jyotsnarani; Pal, Satyanarayan
Anticancer efficacy of bis-heteroleptic iridium(iii) complexes with difluoro-substituted phenylpyridine ligands
RSC Advances, 2025, 15, 22875-22888
7250659 CIFC33 H20 F4 Ir N5 OC 1 2/c 132.873; 10.621; 15.9665
90; 93.922; 90
5561.6Behera, Suvasmita; Pradhan, Kahnu Charan; Barik, Sahadev; Sarkar, Moloy; Kumar, Jagadish; Dandapat, Jagneshwar; Pradhan, Jyotsnarani; Pal, Satyanarayan
Anticancer efficacy of bis-heteroleptic iridium(iii) complexes with difluoro-substituted phenylpyridine ligands
RSC Advances, 2025, 15, 22875-22888
7250660 CIFC46 H40 Mn N2 O2 P2P 31 2 117.5937; 17.5937; 29.4019
90; 90; 120
7881.7Su, Yi; Zhu, Dongzhi; Ma, Zhifeng; Wang, Yizhou; Wang, Zechen; Wang, Zheng; Ma, Yanping; Sun, Wen-Hua
1,2-Diaminocyclohexane-derived chiral tetradentate ligands for Mn(i)-catalyzed asymmetric hydrogenation of ketones
RSC Advances, 2025, 15, 23097-23102
7250661 CIFC22 H28 O8P 21 21 218.25833; 12.69524; 20.3354
90; 90; 90
2131.99Williams, Katherine; Spencer, Catherine E.; de Mattos-Shipley, Kate M. J.; Shah, Anjali D.; Dao, Trong-Tuan; Davies, Jonathan A.; Heard, David M.; Song, Zhongshu; Winter, Ashley J.; Crump, Matthew P.; Willis, Christine L.; Bailey, Andrew M.
In vivo and in vitro investigations provide insights into maleidride biosynthesis in fungi
RSC Advances, 2025, 15, 22799-22806
7250662 CIFC17 H20 N2 O2C 1 c 19.4298; 17.407; 9.4334
90; 96.268; 90
1539.18Rodríguez-Núñez, Yeray A; Sánchez-Márquez, Jesús; Quintero-Saumeth, Jorge; Guerra, Cristian J.; Polo-Cuadrado, Efraín; Villaman, David; Fica-Cornejo, Cristopher A; Romero Bohórquez, Arnold R
Mechanistic insights on the Lewis acid-catalyzed three-component cationic Povarov reaction: synthesis of <i>N</i>-propargyl 1,2,3,4-tetrahydroquinolines.
RSC advances, 2025, 15, 11799-11810
7250663 CIFC120 H168 N8 O16C 1 c 113.644; 13.7725; 16.2084
90; 105.381; 90
2936.7Jing, Yutao; Zhang, Li; Qiu, Li; Fang, Yewen
Modular reductive radical-polar crossover-based acyl migration reactions of <i>N</i>-vinylimides with alkyl, silyl, and acyl radicals.
RSC advances, 2025, 15, 11582-11586
7250676 CIFC11 H9 N4 O2.5F d d 219.939; 57.66; 3.7759
90; 90; 90
4341Fufa, Tesfa Oluma; Ma, Hongwei; Ayub, Ali R.; Nabat, Karim Y.; Khan, Yaqoot; Li, Hui
Zinc(ii) ion detection and fluorescence emission properties of a diaminomaleonitrile-derived unsymmetrical Schiff base ligand
RSC Advances, 2025, 15, 24192-24201
7250677 CIFC35 H32 N2 O4P -18.743; 11.8023; 15.3997
74.888; 83.416; 74.21
1474.58Nayak, Kalinga H.; Jijin, Robert K.; Babu, Beneesh P.
Synthesis of 5-(pyrazol-4-yl) pentanoic acids and 4-(pyrazol-4-yl) butanoic acids via a cascade annulation/ring-opening reaction between hydrazone and dienone
RSC Advances, 2025, 15, 24137-24141
7250678 CIFC24 H22 N O2 PP 1 21/n 111.5363; 12.0675; 14.5536
90; 102.115; 90
1980.95Chang, Yunong; Bian, Fangyu; Guo, Jiefei; Li, Miao-Miao; Ding, Wei
Photoinduced cobaloxime catalysis enabled dehydrogenative C2-phosphinylation of bicyclo[1.1.0]butanes to access phosphorylated cyclobutenes
RSC Advances, 2025, 15, 24053-24057
7250679 CIFC30 H34 Cl2 Hg N4 O S3P -19.2166; 13.6839; 13.696
74.558; 76.599; 79.748
1607.14Velmurugan, Priyanka; Kanniyappan, Poovarasan; Ghatak, Tapas
Beckmann rearrangement of ketoximes for accessing amides and lactams promoted by a perimidine-2-thione supported Hg(ii) complex: a mechanistic perception
RSC Advances, 2025, 15, 24317-24330
7250680 CIFC36 H24 O4P 1 21 17.9745; 12.9911; 13.0553
90; 104.833; 90
1307.43Temel, Merve; Yildiz, Gizem; Ceyhan, Kaan Berkay; Alkan, Fahri; Şahin, Onur; Türkmen, Yunus E.
Photochemical [2 + 2] cycloadditions of naphthalene acrylic acids: templated and untemplated photoreactivity, selective homo/heterodimerizations, and conformational analysis
RSC Advances, 2025, 15, 24544-24556
7250681 CIFC36 H24 O4P 1 21/n 18.8325; 21.7745; 13.8399
90; 102.856; 90
2595Temel, Merve; Yildiz, Gizem; Ceyhan, Kaan Berkay; Alkan, Fahri; Şahin, Onur; Türkmen, Yunus E.
Photochemical [2 + 2] cycloadditions of naphthalene acrylic acids: templated and untemplated photoreactivity, selective homo/heterodimerizations, and conformational analysis
RSC Advances, 2025, 15, 24544-24556
7250695 CIFC7 H10 I NP 1 21/c 113.7854; 19.6358; 10.1873
90; 109.428; 90
2600.6Afri, Michal; Gottlieb, Hugo E.; Fridman, Natalia; Saady, Abed
An NMR insight into the solvatochromic behaviour of Brooker's merocyanine dyes
RSC Advances, 2025, 15, 25436-25440
7250696 CIFC14 H16 I N OP 1 21/n 17.3941; 10.5533; 17.659
90; 96.31; 90
1369.6Afri, Michal; Gottlieb, Hugo E.; Fridman, Natalia; Saady, Abed
An NMR insight into the solvatochromic behaviour of Brooker's merocyanine dyes
RSC Advances, 2025, 15, 25436-25440
7250698 CIFC20 H30 O4P 21 21 2112.0825; 12.7004; 12.9052
90; 90; 90
1980.3Su, Wan-Bai; Hou, Xiao-Meng; Zhang, Ling; Yan, Li; Tang, Zhi-Yang; Yu, Yang; Liu, Jin-Song; Sun, Yun-Peng; Wang, Guo-Kai
Muhenrins A–C, pimarane-type diterpenoids from Munronia henryi
RSC Advances, 2025, 15, 25542-25547
7250710 CIFC30 H52 F N5 O4P 1 2/c 110.0669; 8.2576; 20.7
90; 91.747; 90
1720Hassan, Elsayed; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.
Bis-urea anion receptors: influence of receptor structure and anion nature on binding affinity and stability
RSC Advances, 2025, 15, 26623-26631
7250711 CIFC20 H16 N6 O6P c a 2138.788; 4.5685; 11.1314
90; 90; 90
1972.5Hassan, Elsayed; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.
Bis-urea anion receptors: influence of receptor structure and anion nature on binding affinity and stability
RSC Advances, 2025, 15, 26623-26631
7250712 CIFC20 H16 N6 O6P 1 21/c 118.4683; 12.2887; 8.9483
90; 101.464; 90
1990.3Hassan, Elsayed; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.
Bis-urea anion receptors: influence of receptor structure and anion nature on binding affinity and stability
RSC Advances, 2025, 15, 26623-26631
7250751 CIFC24 H22 O2P 21 21 217.9481; 12.8917; 17.71
90; 90; 90
1814.6Ahamad, Jarish; Khatua, Rashmi Ranjan; Khan, Faiz Ahmed
Lewis acid-promoted intramolecular cyclization of ortho-prenylated chalcones: application to first total synthesis of (±) involucrasin C and its novel analogues
RSC Advances, 2025, 15, 27254-27259
7250752 CIFC48 H46 O6P -15.9062; 14.2368; 23.85
104.078; 95.959; 95.907
1917.5Ahamad, Jarish; Khatua, Rashmi Ranjan; Khan, Faiz Ahmed
Lewis acid-promoted intramolecular cyclization of ortho-prenylated chalcones: application to first total synthesis of (±) involucrasin C and its novel analogues
RSC Advances, 2025, 15, 27254-27259
7250756 CIFC15.75 H18.25 N5.75 O8.75 ZnP 62 2 232.44; 32.44; 7.5934
90; 90; 120
6920.4Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.
Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control
RSC Advances, 2025, 15, 27531-27543
7250757 CIFC18.84 H15.84 N3.82 O4.92 ZnP 62 2 232.499; 32.499; 7.7152
90; 90; 120
7057Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.
Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control
RSC Advances, 2025, 15, 27531-27543
7250758 CIFC45.62 H63.17 N9.92 O9.92 ZnP 42/n :227.5833; 27.5833; 14.4559
90; 90; 90
10998.6Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.
Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control
RSC Advances, 2025, 15, 27531-27543
7250759 CIFC47.88 H69.12 N10.38 O13.75 ZnP 1 21/n 118.5503; 14.385; 22.7569
90; 110.553; 90
5686.06Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.
Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control
RSC Advances, 2025, 15, 27531-27543
7250760 CIFC13.71 H11.42 I1.42 N3 O3.25 ZnP 62 2 232.48; 32.48; 7.692
90; 90; 120
7027.5Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.
Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control
RSC Advances, 2025, 15, 27531-27543
7250761 CIFC18.25 H21.55 N4.05 O4.3 ZnP 62 2 232.482; 32.482; 7.6302
90; 90; 120
6971.9Esrafili, Leili; Cheung, Ocean; Adriaensens, Peter; Derveaux, Elien; Glasby, Lawson T.; Moghadam, Peyman Z.; Vande Velde, Christophe M. L.
Unlocking porosity: structural tuning of urea-based MOFs via reaction parameter control
RSC Advances, 2025, 15, 27531-27543

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