Crystallography Open Database

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7251220 CIFC27 H26 N2 OP 4313.5803; 13.5803; 11.6172
90; 90; 90
2142.5Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.
Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids
Green Chemistry, 2026, 28, 365-374
7251221 CIFC26 H24 N2 O2P 1 21 112.203; 7.0304; 12.614
90; 103.755; 90
1051.1Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.
Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids
Green Chemistry, 2026, 28, 365-374
7251222 CIFC28 H26 N2P 1 21/n 110.2031; 18.048; 12.5014
90; 109.1; 90
2175.3Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.
Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids
Green Chemistry, 2026, 28, 365-374
7251223 CIFC28 H26 N2 O2P 1 21/c 19.1088; 10.6818; 23.1277
90; 95.527; 90
2239.83Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.
Metal-free stereoselective C(sp3)–H indolation of N-heterocycles to potent antimicrobial non-canonical tryp–pro hybrids
Green Chemistry, 2026, 28, 365-374
7251224 CIFC26 H19 N OP 1 21/n 19.8144; 8.2022; 22.949
90; 100.027; 90
1819.2Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo
Linear paired electrolysis enabled dearomative [3 + 2] cycloadditions of indoles and benzofurans with vinyl azides
Green Chemistry, 2026, 28, 343-350
7251225 CIFC27 H26 N2 O2C 1 2/c 123.3054; 9.0717; 21.5229
90; 111.995; 90
4219.2Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo
Linear paired electrolysis enabled dearomative [3 + 2] cycloadditions of indoles and benzofurans with vinyl azides
Green Chemistry, 2026, 28, 343-350
7251226 CIFC22 H23 Br N2 O2P 1 21/c 110.7771; 15.1534; 12.5418
90; 105.628; 90
1972.48Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo
Linear paired electrolysis enabled dearomative [3 + 2] cycloadditions of indoles and benzofurans with vinyl azides
Green Chemistry, 2026, 28, 343-350
7251227 CIFC20 H19 N OP 1 21/c 118.0371; 10.3994; 17.8291
90; 117.232; 90
2973.62Yang, Shaoxiong; Zhu, Yanren; Pu, Enfan; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo
Linear paired electrolysis enabled dearomative [3 + 2] cycloadditions of indoles and benzofurans with vinyl azides
Green Chemistry, 2026, 28, 343-350
7251577 CIFC20 H20 Fe2 N6 O13C 1 2/c 119.612; 10.811; 13.532
90; 123.86; 90
2383Yue, Tian-Cai; Wang, Xin-Fang; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi
Fe(ii)–organic frameworks as heterogeneous catalysts for achieving diverse CO2 conversions
Green Chemistry, 2026, 28, 2904-2913
7251578 CIFC11 H10 Fe N2 O6P 1 21/c 110.758; 16.767; 7.3771
90; 95.384; 90
1324.8Yue, Tian-Cai; Wang, Xin-Fang; Huang, Jian-Bo; Wang, Lu-Lu; Wang, Duo-Zhi
Fe(ii)–organic frameworks as heterogeneous catalysts for achieving diverse CO2 conversions
Green Chemistry, 2026, 28, 2904-2913
7251579 CIFC20 H17 N3 O2P 1 21 16.9335; 15.0785; 8.7254
90; 101.786; 90
892.98Fu, Xue-Ju; Qi, Ting; Zhang, Xin; Xu, Ke; Huang, Wei; Peng, Cheng; Li, Jun-Long; Han, Bo; Zhan, Gu
Water-promoted deconstructive amination of alkenes through single-carbon deletion: access to fully substituted pyrroles
Green Chemistry, 2026, 28, 5633-5641
7251580 CIFC28 H32 Cu2 N8 O12P -19.4205; 10.4548; 10.7477
91.627; 104.973; 116.069
906.19Sun, Guodong; Ma, Yingfei; Cao, Yanan; Zhao, Kaiyang; Ao, Kewen; Wang, Xinqi; Hao, Mingtian; Sun, Mengchen; Zhang, Wei
Hydrogen bond interactions on a dual-core copper catalyst promote the activation of low-concentration CO2 and the generation of ethylene
Green Chemistry, 2026, 28, 4188-4195
7251581 CIFC16 H20 Cu N2 O8P -19.2502; 10.5346; 11.2002
114.542; 112.289; 95.434
876.4Sun, Guodong; Ma, Yingfei; Cao, Yanan; Zhao, Kaiyang; Ao, Kewen; Wang, Xinqi; Hao, Mingtian; Sun, Mengchen; Zhang, Wei
Hydrogen bond interactions on a dual-core copper catalyst promote the activation of low-concentration CO2 and the generation of ethylene
Green Chemistry, 2026, 28, 4188-4195
7251582 CIFC18 H17 F3 O2P 1 21/n 16.5279; 11.063; 22.438
90; 96.638; 90
1609.6Deng, Zhi-Xin; Liu, Zhi-Gang; Han, Ji-Yao; Zhou, Tong-Yao; Cheng, Dang; Xiao, Xiao; Chen, Fen-Er
Mn-catalyzed hydroxyalkylation of α-trifluoromethylstyrenes with cyclopropanols: facile synthesis of δ-trifluoromethyl-δ-hydroxyketones
Green Chemistry, 2026, 28, 5447-5456
7251583 CIFC17 H19 N O5P 1 21/n 110.2763; 12.4918; 13.2249
90; 109.758; 90
1597.7Zhang, Wen-Yu; Liu, Xin-Yao; Li, Yang; Li, Jin-Heng
Electrochemical strain-release cascade cyclization of N-aryl bicyclobutyl amides with 1,3-dicarbonyl compounds via direct C(sp3)–H/C(sp2)–H functionalization
Green Chemistry, 2026, 28, 2700-2705
7251584 CIFC24 H30 B2 N12C 1 2/c 114.861; 13.916; 13.706
90; 107.314; 90
2706Chang, Hong; Zhuang, Shiyi; Wang, Jie; Dong, Mengmeng; Liu, Chenjiang; Jin, Weiwei
Electrochemical radical borylation of N-heterocycles with NHC-boranes: efficient access to the B–N bond
Green Chemistry, 2026, 28, 3541-3548
7251585 CIFC17 H18 B N3P 1 21/n 115.575; 8.029; 25.514
90; 102.777; 90
3111.6Chang, Hong; Zhuang, Shiyi; Wang, Jie; Dong, Mengmeng; Liu, Chenjiang; Jin, Weiwei
Electrochemical radical borylation of N-heterocycles with NHC-boranes: efficient access to the B–N bond
Green Chemistry, 2026, 28, 3541-3548
7251586 CIFC12 H15 B N6P 1 21/c 115.699; 6.1877; 14.634
90; 109.537; 90
1339.7Chang, Hong; Zhuang, Shiyi; Wang, Jie; Dong, Mengmeng; Liu, Chenjiang; Jin, Weiwei
Electrochemical radical borylation of N-heterocycles with NHC-boranes: efficient access to the B–N bond
Green Chemistry, 2026, 28, 3541-3548
7251587 CIFC4 H4 Ag N11 O4P 1 21/n 17.052; 13.474; 11.786
90; 99.362; 90
1105Lv, Ruibing; Wang, Guangli; Jiao, Fangbao; Luo, Zhenghang; Song, Yujie; Wang, Wentao; Zhang, Qi
Template directed strategy of green energetic metal–organic frameworks for enhancing oxygen balance and near infrared laser initiation
Green Chemistry, 2026, 28, 2894-2903
7251602 CIFC10 H12 O4P 1 21/c 19.3761; 7.8776; 13.285
90; 94.051; 90
978.8Li, Xinquan; Chavez, Anthony J.; Zhang, Hao; Andryushkina, Daria; Ford, Peter C.; Abu-Omar, Mahdi M.
Selective conversion of lignin to benzoquinones under ambient conditions: unlocking the potential of a single platform chemical strategy
Green Chemistry, 2026, 28, 4255-4262
7251603 CIFC17 H16 Br N SP 1 21/c 19.4027; 12.8347; 13.5644
90; 108.264; 90
1554.5Hong, Jun; Wu, Tianbao; Yu, Zhihao; Zhu, Yu; Tang, Daijun; Wang, Minyan; Jiang, Xinpeng
Construction of sulfur-substituted methylenecyclobutanes via thioaromatization of [1.1.1]propellane with sulfenamides
Green Chemistry, 2026, 28, 3226-3231
7251604 CIFC32 H38 OP 21 21 216.2977; 14.2719; 27.7472
90; 90; 90
2493.9Sun, Yajun; Kang, Tengfei; Feng, Yingdi; Sun, Huaming; Song, Geyang; Xue, Dong
Semi-heterogeneous dual iron/photocatalytic decarboxylative C(sp3)–C(sp3) cross-coupling via radical sorting
Green Chemistry, 2026, 28, 3270-3278
7251605 CIFC13 H10 F6 O4 SP 1 21/c 17.6984; 24.816; 7.9995
90; 101.995; 90
1494.9Jiao, Kehan; Guo, Yunliang; Xia, Jiuli; Chen, Kaixuan; Zhu, Lihan; Dong, Ying; Qu, Jiao; Zheng, Guangfan; Sun, Jiaqiong; Xiong, Tao; Zhang, Qian
Photoredox-catalyzed cascade difluoromethylation/SO2 reintegration/polyfluoroarylation of conjugated dienes with a bifunctional CF2HSO2Na reagent
Green Chemistry, 2026, 28, 3215-3225
7251606 CIFC42 H36 F12 O8 S2P -15.6107; 10.2669; 18.5433
87.148; 87.326; 88.241
1065.26Jiao, Kehan; Guo, Yunliang; Xia, Jiuli; Chen, Kaixuan; Zhu, Lihan; Dong, Ying; Qu, Jiao; Zheng, Guangfan; Sun, Jiaqiong; Xiong, Tao; Zhang, Qian
Photoredox-catalyzed cascade difluoromethylation/SO2 reintegration/polyfluoroarylation of conjugated dienes with a bifunctional CF2HSO2Na reagent
Green Chemistry, 2026, 28, 3215-3225
7251607 CIFC20 H17 N O3P 21 21 218.4028; 10.9104; 17.5842
90; 90; 90
1612.08Li, Qiuyu; Wu, Ruixue; Wu, Tianbao; Wei, Renkang; Li, Zhijiao; Gao, Shang; Wang, Minyan; Yao, Hequan; Lin, Aijun
Palladium-catalyzed asymmetric sequential hydroalkylation and hydroamination of 1,3-enynes with 3-hydroxyindoles
Green Chemistry, 2026, 28, 3232-3242
7251608 CIFC38 H40 N2 O5P 1 21 115.3057; 6.3268; 16.4984
90; 91.234; 90
1597.27Li, Qiuyu; Wu, Ruixue; Wu, Tianbao; Wei, Renkang; Li, Zhijiao; Gao, Shang; Wang, Minyan; Yao, Hequan; Lin, Aijun
Palladium-catalyzed asymmetric sequential hydroalkylation and hydroamination of 1,3-enynes with 3-hydroxyindoles
Green Chemistry, 2026, 28, 3232-3242
7251609 CIFC23 H23 N O3P 21 21 219.4981; 12.7136; 15.5146
90; 90; 90
1873.5Li, Qiuyu; Wu, Ruixue; Wu, Tianbao; Wei, Renkang; Li, Zhijiao; Gao, Shang; Wang, Minyan; Yao, Hequan; Lin, Aijun
Palladium-catalyzed asymmetric sequential hydroalkylation and hydroamination of 1,3-enynes with 3-hydroxyindoles
Green Chemistry, 2026, 28, 3232-3242
7251650 CIFC16 H24 F2 O4P -17.0533; 10.1731; 13.3163
69.361; 75.835; 88.474
865.1Han, Jianguo; Lang, Yatao; Zhu, Chen; Yue, Huifeng
Solvent-controlled divergent 1,2-dialkylation and 1,1,2-bromodialkylation of terminal alkynes to access difluoroalkylated cyclopentanes
Green Chemistry, 2026, 28, 4842-4849
7251651 CIFC16 H21 Br F2 O6P -17.2575; 10.68; 12.7493
108.466; 106.202; 93.974
886.5Han, Jianguo; Lang, Yatao; Zhu, Chen; Yue, Huifeng
Solvent-controlled divergent 1,2-dialkylation and 1,1,2-bromodialkylation of terminal alkynes to access difluoroalkylated cyclopentanes
Green Chemistry, 2026, 28, 4842-4849
7251672 CIFC14 H10 O3 SP 21 21 2114.9751; 6.1259; 12.9261
90; 90; 90
1185.79Tong, Wanting; Chen, Yirui; Jin, Xinhang; Wu, Hangtao; Xu, Chaoran; Song, Dingguo; Ling, Fei; Zhong, Weihui
Highly enantioselective epoxidation of trisubstituted vinyl sulfones with H2O2 catalyzed by a bioinspired manganese catalyst
Green Chemistry, 2026, 28, 5084-5092
7251690 CIFC18 H23 B2 F8 Ir N6 O3P 1 21 110.333; 10.8804; 12.1379
90; 106.579; 90
1307.9Richter, Marvin L.; Peris, Eduardo; Gonell, Sergio
Impact of linking groups in chelating bis-carbene iridium catalysts for transfer hydrogenation of inorganic carbonates with glycerol
Green Chemistry, 2026, 28, 2385-2394
7251691 CIFC22 H26 F6 Ir N4 O4 PP 1 21/c 19.6538; 27.3149; 10.228
90; 90.034; 90
2697.05Richter, Marvin L.; Peris, Eduardo; Gonell, Sergio
Impact of linking groups in chelating bis-carbene iridium catalysts for transfer hydrogenation of inorganic carbonates with glycerol
Green Chemistry, 2026, 28, 2385-2394
7251692 CIFC19.75 H32.6 Br Ir N4 O2P 1 2/n 115.8821; 10.1194; 24.188
90; 101.932; 90
3803.4Richter, Marvin L.; Peris, Eduardo; Gonell, Sergio
Impact of linking groups in chelating bis-carbene iridium catalysts for transfer hydrogenation of inorganic carbonates with glycerol
Green Chemistry, 2026, 28, 2385-2394
7251693 CIFC25 H20 N2 OP 1 21/c 110.512; 11.1768; 15.6769
90; 92.894; 90
1839.54Gore, Babasaheb Sopan; Chen, Hsing-Yin; Wang, Jeh-Jeng
Green and sustainable dearomative cycloaddition of arenes via visible-light energy transfer catalysis: an atom-economical synthesis of N-heterocyclic skeletons
Green Chemistry, 2026, 28, 2475-2484
7251694 CIFC26 H22 N2 OP 1 21/c 110.3638; 11.3229; 16.6651
90; 93.655; 90
1951.64Gore, Babasaheb Sopan; Chen, Hsing-Yin; Wang, Jeh-Jeng
Green and sustainable dearomative cycloaddition of arenes via visible-light energy transfer catalysis: an atom-economical synthesis of N-heterocyclic skeletons
Green Chemistry, 2026, 28, 2475-2484
7251695 CIFC25 H20 N2 O2P 1 21/c 110.3481; 11.447; 15.758
90; 92.878; 90
1864.25Gore, Babasaheb Sopan; Chen, Hsing-Yin; Wang, Jeh-Jeng
Green and sustainable dearomative cycloaddition of arenes via visible-light energy transfer catalysis: an atom-economical synthesis of N-heterocyclic skeletons
Green Chemistry, 2026, 28, 2475-2484
7251696 CIFC27 H24 N2 OP 1 21/n 110.5513; 10.523; 22.0654
90; 99.639; 90
2415.4Gore, Babasaheb Sopan; Chen, Hsing-Yin; Wang, Jeh-Jeng
Green and sustainable dearomative cycloaddition of arenes via visible-light energy transfer catalysis: an atom-economical synthesis of N-heterocyclic skeletons
Green Chemistry, 2026, 28, 2475-2484
7251697 CIFC12 H10 I N OP b c a12.713; 9.9112; 17.8424
90; 90; 90
2248.16Tang, Yan; Ponnam, Devendar; Ma, Zhifeng; Tao, Xiong; Sun, Long; Yang, Hekun; Chen, Jingchao; Fan, Baomin
Visible light-mediated stereoselective haloalkylation of bicyclic alkenes
Green Chemistry, 2026, 28, 2422-2428
7251698 CIFC12 H10 I N OP 1 21/c 113.9738; 8.8365; 9.5185
90; 101.071; 90
1153.47Tang, Yan; Ponnam, Devendar; Ma, Zhifeng; Tao, Xiong; Sun, Long; Yang, Hekun; Chen, Jingchao; Fan, Baomin
Visible light-mediated stereoselective haloalkylation of bicyclic alkenes
Green Chemistry, 2026, 28, 2422-2428
7251699 CIFC23 H22 O SP 21 21 216.4582; 12.2794; 22.668
90; 90; 90
1797.6Xu, Zhongrong; Zhao, Ting; Jiang, Wenxin; Ren, Yanwei; Qi, Chaorong; Jiang, Huanfeng
Dual silane-promoted palladium catalysis: synthesis of phenols from carbon dioxide and 1,4-enynes
Green Chemistry, 2026, 28, 2288-2293
7251700 CIFC18 H15.2 Er N3 O7.85I 4/m19.4171; 19.4171; 27.6192
90; 90; 90
10413.1Chen, Jie; Kong, Lingfang; Zhang, Qinggang; Shi, Wenjing; Zhang, Shiyong; Qu, Hongen; Xu, Guohai; Zhou, Zhonggao; Chen, Yiwang
Constructing highly reactive Pd nanoparticles with π bonds in imidazolium-based metal–organic frameworks for chemoselective CO2 multicomponent transformation
Green Chemistry, 2026, 28, 1691-1703
7251701 CIFC21 H20 N2 O2P 1 21/n 17.7577; 9.9027; 21.276
90; 93.666; 90
1631.12Li, Ning-Bo; Liu, Yun-Chang; Liu, Lun-Hang; Wei, Wan-Yu; Zhang, Di; He, Wei-Min; Jia, Hong-Yan; Bian, Wei
Visible-light-induced annulation of 4-aminocoumarins to tetrahydropyrimidine-fused coumarins and evaluation of their antitumor activities
Green Chemistry, 2026, 28, 1601-1606
7251716 CIFC24 H20 O P2 S2C 1 2/c 115.2303; 9.0769; 17.0558
90; 113.675; 90
2159.4Zhu, Longzhi; Xie, Shuangjiao; Yang, Hongbo; Hong, Yingle; Chen, Lin; Luo, Weiwei; Jin, Sha; Liu, Lixin; Xiong, Biquan
Catalyst-free synthesis of phosphinochalcogenoic anhydrides via the oxygen–chalcogen exchange with elemental sulfur or selenium
Green Chemistry, 2026, 28, 5848-5856
7251717 CIFC28 H21 O2 P SeP 1 21/n 110.20299; 13.2426; 16.7176
90; 91.5224; 90
2257.99Zhu, Longzhi; Xie, Shuangjiao; Yang, Hongbo; Hong, Yingle; Chen, Lin; Luo, Weiwei; Jin, Sha; Liu, Lixin; Xiong, Biquan
Catalyst-free synthesis of phosphinochalcogenoic anhydrides via the oxygen–chalcogen exchange with elemental sulfur or selenium
Green Chemistry, 2026, 28, 5848-5856
7251718 CIFC17 H12 F N O3P 1 21/c 132.317; 5.8385; 7.1851
90; 90.826; 90
1355.56Massad, Younes; Zych, Arkadiusz; Duttine, Mathieu; Bassani, Dario M.; Robert, Frédéric; Landais, Yannick
H-bond mediated photocatalyzed oxidation of oximes under visible light and air. A general route toward dioxazoles, oxadiazoles and isoxazoles
Green Chemistry, 2026, 28, 5482-5492
7251719 CIFC16 H9 F3 N2 O2P -17.7206; 9.3225; 10.2659
92.407; 99.423; 91.424
727.9Massad, Younes; Zych, Arkadiusz; Duttine, Mathieu; Bassani, Dario M.; Robert, Frédéric; Landais, Yannick
H-bond mediated photocatalyzed oxidation of oximes under visible light and air. A general route toward dioxazoles, oxadiazoles and isoxazoles
Green Chemistry, 2026, 28, 5482-5492
7251770 CIFC24 H27 N O2 SP b c a12.2241; 15.1783; 23.332
90; 90; 90
4329Mutra, Mohana Reddy; Chandana, T. L.; Chen, Hsing-Yin; Wang, Yun-Jou; Wang, Jeh-Jeng
Diastereoselective construction of complex spiroheterocycles via γ-C(sp3)–H functionalization of 1,1-disubstituted cyclohexanes with diverse bifunctional reagents
Green Chemistry, 2026, 28, 5753-5766
7251771 CIFC31 H33 N O5 S2C 1 2/c 117.9254; 20.1083; 17.3647
90; 115.764; 90
5636.9Mutra, Mohana Reddy; Chandana, T. L.; Chen, Hsing-Yin; Wang, Yun-Jou; Wang, Jeh-Jeng
Diastereoselective construction of complex spiroheterocycles via γ-C(sp3)–H functionalization of 1,1-disubstituted cyclohexanes with diverse bifunctional reagents
Green Chemistry, 2026, 28, 5753-5766
7251772 CIFC36 H36 Cl N O4 S2 SeP 1 21/n 110.2587; 14.3099; 22.3142
90; 99.898; 90
3226.99Mutra, Mohana Reddy; Chandana, T. L.; Chen, Hsing-Yin; Wang, Yun-Jou; Wang, Jeh-Jeng
Diastereoselective construction of complex spiroheterocycles via γ-C(sp3)–H functionalization of 1,1-disubstituted cyclohexanes with diverse bifunctional reagents
Green Chemistry, 2026, 28, 5753-5766
7251773 CIFC31 H34 I N O4 S2P -18.8033; 10.9603; 16.191
71.565; 84.701; 85.036
1473Mutra, Mohana Reddy; Chandana, T. L.; Chen, Hsing-Yin; Wang, Yun-Jou; Wang, Jeh-Jeng
Diastereoselective construction of complex spiroheterocycles via γ-C(sp3)–H functionalization of 1,1-disubstituted cyclohexanes with diverse bifunctional reagents
Green Chemistry, 2026, 28, 5753-5766

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