Crystallography Open Database

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7230301 CIFC16 H24 O3P -16.0145; 8.0625; 16.0814
96.122; 94.613; 100.073
759.5Wang, Yanliang; Guo, Xiangguang; Bi, Yanfeng; Su, Jia; Kong, Weichang; Sun, Xiaoqi
Enrichment of trace rare earth elements from the leaching liquor of ion-absorption minerals using a solid complex centrifugal separation process
Green Chemistry, 2018, 20, 1998
7230302 CIFC17 H26 O3P 1 21/c 115.6175; 8.4961; 12.67
90; 96.193; 90
1671.3Wang, Yanliang; Guo, Xiangguang; Bi, Yanfeng; Su, Jia; Kong, Weichang; Sun, Xiaoqi
Enrichment of trace rare earth elements from the leaching liquor of ion-absorption minerals using a solid complex centrifugal separation process
Green Chemistry, 2018, 20, 1998
7230303 CIFC36 H56 O6P 1 21/c 112.9802; 8.6558; 32.2944
90; 94.115; 90
3619.1Wang, Yanliang; Guo, Xiangguang; Bi, Yanfeng; Su, Jia; Kong, Weichang; Sun, Xiaoqi
Enrichment of trace rare earth elements from the leaching liquor of ion-absorption minerals using a solid complex centrifugal separation process
Green Chemistry, 2018, 20, 1998
7230313 CIFC18 H29 Cl2 Ir N4 O2P -19.1521; 9.681; 11.7658
88.195; 86.069; 89.089
1039.4Lu, Sheng-Mei; Wang, Zhijun; Wang, Jijie; Li, Jun; Li, Can
Hydrogen generation from formic acid decomposition on a highly efficient iridium catalyst bearing a diaminoglyoxime ligand
Green Chemistry, 2018, 20, 1835
7230342 CIFC22 H25 N5 O4P -19.324; 9.76; 12.772
75.736; 70.173; 77.227
1047.6Zhang, Furen; Li, Chunmei; Liang, Xuezheng
Solid acid-catalyzed domino cyclization reaction: regio- and diastereoselective synthesis of pyrido[2,3-d]pyrimidine derivatives bearing three contiguous stereocenters
Green Chemistry, 2018, 20, 2057
7230380 CIFC116 H88 Cl6 N8C 1 2/c 143.317; 23.984; 28.932
90; 117.762; 90
26598Ishizuka, Tomoya; Ohkawa, Shumpei; Ochiai, Hidemi; Hashimoto, Muneaki; Ohkubo, Kei; Kotani, Hiroaki; Sadakane, Masahiro; Fukuzumi, Shunichi; Kojima, Takahiko
A supramolecular photocatalyst composed of a polyoxometalate and a photosensitizing water-soluble porphyrin diacid for the oxidation of organic substrates in water
Green Chemistry, 2018, 20, 1975
7230471 CIFC23 H18 N2 O5 SP -19.1495; 11.0385; 11.775
68.418; 81.041; 68.191
1026.46Yao, Xinghui; Weng, Xin; Wang, Kaixuan; Xiang, Haifeng; Zhou, Xiangge
Transition metal free oxygenation of 8-aminoquinoline amides in water
Green Chemistry, 2018, 20, 2472
7230499 CIFC14 H10 N2 OP 1 21/c 112.105; 7.6772; 11.507
90; 97.73; 90
1059.7Yu, Wenjia; Zhang, Xianwei; Qin, Bingjie; Wang, Qiyang; Ren, Xuhong; He, Xinhua
Furan-2-carbaldehydes as C1 building blocks for the synthesis of quinazolin-4(3H)-ones via ligand-free photocatalytic C–C bond cleavage
Green Chemistry, 2018, 20, 2449
7230500 CIFC19 H14 N2 O2P 1 21/c 110.351; 11.378; 12.992
90; 106.17; 90
1469.6Yu, Wenjia; Zhang, Xianwei; Qin, Bingjie; Wang, Qiyang; Ren, Xuhong; He, Xinhua
Furan-2-carbaldehydes as C1 building blocks for the synthesis of quinazolin-4(3H)-ones via ligand-free photocatalytic C–C bond cleavage
Green Chemistry, 2018, 20, 2449
7230578 CIFC12 H14 O4P 1 21/n 15.8802; 25.3608; 8.2156
90; 109.663; 90
1153.72Yang, Da; Liu, Huan; Wang, Dong-Liang; Luo, Zhoujie; Lu, Yong; Xia, Fei; Liu, Ye
Co-catalysis over a bi-functional ligand-based Pd-catalyst for tandem bis-alkoxycarbonylation of terminal alkynes
Green Chemistry, 2018, 20, 2588
7230581 CIFC15 H0 Br N OC 1 c 129.72; 5.675; 7.425
90; 95.29; 90
1247Chen, Chun-Hua; Wu, Qing-Yan; Wei, Cui; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang
Iron(iii)-catalyzed selective N‒O bond cleavage to prepare tetrasubstituted pyridines and 3,5-disubstituted isoxazolines from N-vinyl-α,β-unsaturated ketonitrones
Green Chemistry, 2018, 20, 2722
7230582 CIFC20 H16 F3 NP -18.585; 9.869; 10.0994
91.079; 103.819; 90.728
830.6Chen, Chun-Hua; Wu, Qing-Yan; Wei, Cui; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang
Iron(iii)-catalyzed selective N–O bond cleavage to prepare tetrasubstituted pyridines and 3,5-disubstituted isoxazolines from N-vinyl-α,β-unsaturated ketonitrones
Green Chemistry, 2018, 20, 2722
7230705 CIFC13 H10 Cl N O SP 1 21/n 110.4863; 9.6208; 12.383
90; 111.484; 90
1162.48Ma, Yan-Na; Guo, Chen-Yang; Zhao, Qianyi; Zhang, Jie; Chen, Xuenian
Synthesis of dibenzothiazines from sulfides by one-pot N,O-transfer and intramolecular C–H amination
Green Chemistry, 2018, 20, 2953
7230721 CIFC40 H35 Cl N3 O5.5F d d 221.758; 50.304; 13.416
90; 90; 90
14684Wang, Dong; Li, Linna; Feng, Hairong; Sun, Hua; Almeida-Veloso, Fabrice; Charavin, Marine; Yu, Peng; Désaubry, Laurent
Catalyst-free three-component synthesis of highly functionalized 2,3-dihydropyrroles
Green Chemistry, 2018, 20, 2775
7230722 CIFC48 H49 Cl2 N3 O4P -112.043; 13.174; 13.616
98.819; 97.641; 98.079
2087Wang, Dong; Li, Linna; Feng, Hairong; Sun, Hua; Almeida-Veloso, Fabrice; Charavin, Marine; Yu, Peng; Désaubry, Laurent
Catalyst-free three-component synthesis of highly functionalized 2,3-dihydropyrroles
Green Chemistry, 2018, 20, 2775
7230738 CIFC11 H10 O4P 21 21 217.22158; 9.60997; 13.4791
90; 90; 90
935.44Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.
Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen–Schmidt reactions of dihydrolevoglucosenone (Cyrene®)
Green Chemistry, 2018, 20, 4423
7230739 CIFC13 H11 N O5P 1 21 18.36693; 7.08624; 19.5336
90; 93.2815; 90
1156.25Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.
Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen–Schmidt reactions of dihydrolevoglucosenone (Cyrene®)
Green Chemistry, 2018, 20, 4423
7230740 CIFC15 H14 O3P 6513.5583; 13.5583; 45.7998
90; 90; 120
7291.3Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.
Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen–Schmidt reactions of dihydrolevoglucosenone (Cyrene®)
Green Chemistry, 2018, 20, 4423
7230741 CIFC11 H10 O3 SP 21 21 216.32713; 10.32552; 15.23806
90; 90; 90
995.516Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.
Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen–Schmidt reactions of dihydrolevoglucosenone (Cyrene®)
Green Chemistry, 2018, 20, 4423
7230742 CIFC13 H12 O4P 21 21 219.50457; 9.59528; 11.4776
90; 90; 90
1046.75Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.
Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen–Schmidt reactions of dihydrolevoglucosenone (Cyrene®)
Green Chemistry, 2018, 20, 4423
7230743 CIFC14 H14 O3P 21 21 216.47958; 7.89044; 22.4589
90; 90; 90
1148.25Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.
Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen–Schmidt reactions of dihydrolevoglucosenone (Cyrene®)
Green Chemistry, 2018, 20, 4423
7230744 CIFC13 H11 Cl O3P 1 21 15.94601; 5.17983; 18.2456
90; 94.739; 90
560.03Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.
Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen–Schmidt reactions of dihydrolevoglucosenone (Cyrene®)
Green Chemistry, 2018, 20, 4423
7230745 CIFC13 H12 O3P 1 21 111.11016; 9.04172; 15.58673
90; 95.3028; 90
1559.06Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.
Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen–Schmidt reactions of dihydrolevoglucosenone (Cyrene®)
Green Chemistry, 2018, 20, 4423
7230820 CIFC22 H16 O5 SP n a 217.7651; 16.4066; 14.1404
90; 90; 90
1801.5Chen, Zhengkai; Liu, Nai-Wei; Bolte, Michael; Ren, Hongjun; Manolikakes, Georg
Visible-light mediated 3-component synthesis of sulfonylated coumarins from sulfur dioxide
Green Chemistry, 2018, 20, 3059
7230821 CIFC21 H13 Cl O4 SP 1 c 112.8859; 5.6317; 25.025
90; 92.804; 90
1813.9Chen, Zhengkai; Liu, Nai-Wei; Bolte, Michael; Ren, Hongjun; Manolikakes, Georg
Visible-light mediated 3-component synthesis of sulfonylated coumarins from sulfur dioxide
Green Chemistry, 2018, 20, 3059
7230882 CIFC18 H19 N O2 SP -18.9159; 9.228; 10.159
105.035; 98.43; 102.959
767.8Herold, Sebastian; Bafaluy, Daniel; Muñiz, Kilian
Anodic benzylic C(sp3)–H amination: unified access to pyrrolidines and piperidines
Green Chemistry, 2018, 20, 3191
7230883 CIFC14 H15 F6 N O3 SC 1 2/c 139.756; 6.2412; 31.125
90; 123.261; 90
6457.7Herold, Sebastian; Bafaluy, Daniel; Muñiz, Kilian
Anodic benzylic C(sp3)–H amination: unified access to pyrrolidines and piperidines
Green Chemistry, 2018, 20, 3191
7230887 CIFC18 H21 N O6P -18.9121; 10.6028; 10.607
107.362; 95.433; 110.176
875.81Wang, Yinling; Du, Yiman; He, Jianghua; Zhang, Yuetao
Transformation of lignin model compounds to N-substituted aromatics via Beckmann rearrangement
Green Chemistry, 2018, 20, 3318
7230903 CIFC20 H18 OC 1 2/c 114.081; 14.4862; 16.112
90; 113.689; 90
3009.6Senadi, Gopal Chandru; Wang, Jeh-Jeng
p-TsOH promoted synthesis of benzo-fused O-heterocycles from alkynolsviaring contraction and C–O scission strategy
Green Chemistry, 2018, 20, 3420
7230904 CIFC19 H16 O2P -16.3828; 10.3101; 11.896
104.198; 100.779; 97.652
732.2Senadi, Gopal Chandru; Wang, Jeh-Jeng
p-TsOH promoted synthesis of benzo-fused O-heterocycles from alkynolsviaring contraction and C–O scission strategy
Green Chemistry, 2018, 20, 3420
7230905 CIFC12 H10 O3P 1 21/c 19.52; 13.2012; 8.3853
90; 112.716; 90
972.1Senadi, Gopal Chandru; Wang, Jeh-Jeng
p-TsOH promoted synthesis of benzo-fused O-heterocycles from alkynolsviaring contraction and C–O scission strategy
Green Chemistry, 2018, 20, 3420
7230906 CIFC53 H44 Cl F6 N4 P3 RuI -428.6436; 28.6436; 13.5364
90; 90; 90
11106Chakrabarti, Kaushik; Mishra, Anju; Panja, Dibyajyoti; Paul, Bhaskar; Kundu, Sabuj
Selective synthesis of mono- and di-methylated amines using methanol and sodium azide as C1 and N1 sources
Green Chemistry, 2018, 20, 3339
7230942 CIFC42 H36 Br Cl2 N2 O5.5 S2P -110.1352; 13.2429; 16.5954
110.962; 96.295; 91.276
2062.93Wang, Cai-Ming; Qi, Lin-Jun; Sun, Qing; Zhou, Bo; Zhang, Zhi-Xin; Shi, Zai-Fa; Lin, Shui-Chao; Lu, Xin; Gong, Lei; Ye, Long-Wu
Transition-metal-free oxidative cyclization of N-propargyl ynamides: stereospecific construction of linear polycyclic N-heterocycles
Green Chemistry, 2018, 20, 3271
7230943 CIFC25 H23 N O3 SP 1 21/c 118.5095; 10.9007; 10.3745
90; 103.857; 90
2032.3Wang, Cai-Ming; Qi, Lin-Jun; Sun, Qing; Zhou, Bo; Zhang, Zhi-Xin; Shi, Zai-Fa; Lin, Shui-Chao; Lu, Xin; Gong, Lei; Ye, Long-Wu
Transition-metal-free oxidative cyclization of N-propargyl ynamides: stereospecific construction of linear polycyclic N-heterocycles
Green Chemistry, 2018, 20, 3271
7230944 CIFC31 H25 N O3 SP 1 21/n 111.7246; 12.2563; 16.5665
90; 98.55; 90
2354.15Wang, Cai-Ming; Qi, Lin-Jun; Sun, Qing; Zhou, Bo; Zhang, Zhi-Xin; Shi, Zai-Fa; Lin, Shui-Chao; Lu, Xin; Gong, Lei; Ye, Long-Wu
Transition-metal-free oxidative cyclization of N-propargyl ynamides: stereospecific construction of linear polycyclic N-heterocycles
Green Chemistry, 2018, 20, 3271
7230945 CIFC21 H18 O4C 1 2/c 117.0463; 11.4307; 18.4621
90; 107.898; 90
3423.3Sha, Hong-Kai; Liu, Feng; Lu, Juan; Liu, Zhang-Qin; Hao, Wen-Juan; Tang, Jia-Le; Tu, Shu-Jiang; Jiang, Bo
Metal-free benzannulation of yne-allenone esters for atom economical synthesis of functionalized 1-naphthols
Green Chemistry, 2018, 20, 3476
7230946 CIFC27 H23 N O3P 1 21/c 114.9117; 9.0532; 16.0374
90; 99.025; 90
2138.2Sha, Hong-Kai; Liu, Feng; Lu, Juan; Liu, Zhang-Qin; Hao, Wen-Juan; Tang, Jia-Le; Tu, Shu-Jiang; Jiang, Bo
Metal-free benzannulation of yne-allenone esters for atom economical synthesis of functionalized 1-naphthols
Green Chemistry, 2018, 20, 3476
7231095 CIFC29 H29 N5P -19.7181; 11.6016; 12.0845
69.98; 78.308; 71.223
1205.45Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231096 CIFC22 H25 N5P -18.154; 14.767; 16.628
90.056; 100.409; 90.188
1969.2Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231097 CIFC26 H24 Cl N5 OP 1 21 19.5211; 11.9295; 20.9205
90; 100.11; 90
2339.3Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231098 CIFC26 H25 N5C 1 c 110.7702; 13.9788; 15.802
90; 109.391; 90
2244.11Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231099 CIFC26 H25 N5P 1 21/c 113.8953; 9.4127; 16.851
90; 97.186; 90
2186.67Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231100 CIFC1.61 H1.61 N0.3P 1 21/n 111.3769; 17.6453; 11.4216
90; 96.532; 90
2277.99Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231101 CIFC33 H31 N5 O2P 21 21 219.5012; 15.8064; 18.7456
90; 90; 90
2815.2Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.
C–H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines
Green Chemistry, 2018, 20, 3463
7231208 CIFC17 H14 N2 O2 SP -18.4181; 9.1433; 10.4688
74.013; 72.64; 69.444
706.85Chen, En; Shao, Jiaan; Tang, Pai; Shu, Ke; Chen, Wenteng; Yu, Yongping
Catalyst-free three-component sequencing for efficient assembly of [1,3] oxazine N-fused imidazole-2-thiones
Green Chemistry, 2018, 20, 3696
7231242 CIFC12 H14 N2 OP -15.8293; 9.3602; 10.5304
77.907; 80.183; 78.031
544.74Pelliccia, Sveva; Abbate, Vincenzo; Meneghetti, Fiorella; Frascione, Nunzianda; Hider, Robert Charles; Novellino, Ettore; Tron, Gian Cesare; Giustiniano, Mariateresa
On-water pyrrolidine-mediated domino synthesis of 2-iminoisatins
Green Chemistry, 2018, 20, 3912
7231243 CIFC90 H78 Cl N9 O5 P6 Ru2P 1 21/n 122.8345; 15.0703; 27.8444
90; 92.926; 90
9569.4Guan, Chao; Pan, Yupeng; Ang, Eleanor Pei Ling; Hu, Jinsong; Yao, Changguang; Huang, Mei-Hui; Li, Huaifeng; Lai, Zhiping; Huang, Kuo-Wei
Conversion of CO2 from air into formate using amines and phosphorus-nitrogen PN3P-Ru(ii) pincer complexes
Green Chemistry, 2018, 20, 4201
7231244 CIFC48 H40 N3 O P3 RuP -112.2479; 20.634; 25.309
106.192; 93.516; 106.236
5829.8Guan, Chao; Pan, Yupeng; Ang, Eleanor Pei Ling; Hu, Jinsong; Yao, Changguang; Huang, Mei-Hui; Li, Huaifeng; Lai, Zhiping; Huang, Kuo-Wei
Conversion of CO2 from air into formate using amines and phosphorus-nitrogen PN3P-Ru(ii) pincer complexes
Green Chemistry, 2018, 20, 4201
7231311 CIFC16 H14.5 F3 N3 O0.25P 1 21/c 15.6803; 22.15; 23.2022
90; 90.281; 90
2919.2Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia
Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents
Green Chemistry, 2018, 20, 4023
7231312 CIFC18 H23 N3 O4P 1 21 15.35503; 10.169; 32.73
90; 92.72; 90
1780.31Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia
Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents
Green Chemistry, 2018, 20, 4023

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