Crystallography Open Database

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4030106 CIFC20 H32 O9P 1 21 18.7618; 28.36; 8.9322
90; 100.258; 90		2184Das, Soumendra Nath; Rana, Richa; Chatterjee, Sabyasachi; Suresh Kumar, Gopinatha; Mandal, Sukhendu B.
Ring-Closing Metathesis and Glycosylation Reactions: Synthesis and Biophysical Studies of Polyether-Linked Carbohydrate-Based Macrocyclic Nucleosides.
The Journal of organic chemistry, 2014, 79, 9958
4030107 CIFC12 H6 N4 S3P 1 21/c 16.9401; 11.7725; 14.9488
90; 102.77; 90		1191.14Chávez, Patricia; Ngov, Chheng; Frémont, Pierre de; Lévêque, Patrick; Leclerc, Nicolas
Synthesis by Direct Arylation of Thiazole-Derivatives: Regioisomer Configurations-Optical Properties Relationship Investigation.
The Journal of organic chemistry, 2014, 79, 10179
4030108 CIFC12 H6 N4 S3P 1 21/c 18.274; 11.141; 12.659
90; 97.009; 90		1158.2Chávez, Patricia; Ngov, Chheng; Frémont, Pierre de; Lévêque, Patrick; Leclerc, Nicolas
Synthesis by Direct Arylation of Thiazole-Derivatives: Regioisomer Configurations-Optical Properties Relationship Investigation.
The Journal of organic chemistry, 2014, 79, 10179
4030109 CIFC31 H34 F N O9 SC 2 2 2110.1348; 17.309; 38.8028
90; 90; 90		6806.91Bai, Sha; Liao, Yuting; Lin, Lili; Luo, Weiwei; Liu, Xiaohua; Feng, Xiaoming
N,N'-Dioxide-Scandium(III)-Catalyzed Asymmetric Aza-Friedel-Crafts Reaction of Sesamol with Aldimines.
The Journal of organic chemistry, 2014, 79, 10662
4030110 CIFC21 H17 N3 O2P 1 21/c 118.321; 7.322; 14.433
90; 109.457; 90		1825.6Das, Uttam Kumar; Mandal, Subhajit; Anoop, Anakuthil; Bhattacharjee, Manish
Structure-Selectivity Relationship in Ruthenium-Catalyzed Regio- and Stereoselective Addition of Alkynes to Pyrazoles: An Experimental and Theoretical Investigation.
The Journal of organic chemistry, 2014, 79, 9979
4030111 CIFC32 H23 Cl N2 O5P 21 21 2110.4536; 11.9049; 22.4319
90; 90; 90		2791.63Geng, Zhi-Cong; Zhang, Shao-Yun; Li, Nai-Kai; Li, Ning; Chen, Jian; Li, Hai-Yan; Wang, Xing-Wang
Organocatalytic diversity-oriented asymmetric synthesis of tricyclic chroman derivatives.
The Journal of organic chemistry, 2014, 79, 10772-10785
4030112 CIFC21 H18 Br Cl O5P 21 21 218.2432; 8.647; 28.4472
90; 90; 90		2027.7Geng, Zhi-Cong; Zhang, Shao-Yun; Li, Nai-Kai; Li, Ning; Chen, Jian; Li, Hai-Yan; Wang, Xing-Wang
Organocatalytic diversity-oriented asymmetric synthesis of tricyclic chroman derivatives.
The Journal of organic chemistry, 2014, 79, 10772-10785
4030113 CIFC38 H41 N O5P 21 21 2115.0974; 19.1605; 32.7141
90; 90; 90		9463.3Szcześniak, Piotr; Stecko, Sebastian; Maziarz, Elżbieta; Staszewska-Krajewska, Olga; Furman, Bartłomiej
Synthesis of Polyhydroxylated Quinolizidine and Indolizidine Scaffolds from Sugar-Derived Lactams via a One-Pot Reduction/Mannich/Michael Sequence.
The Journal of organic chemistry, 2014, 79, 10487
4030114 CIFC7 H15 N O5P 1 21 15.1699; 7.3333; 11.1791
90; 89.7378; 90		423.822Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.
Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.
The Journal of organic chemistry, 2014, 79, 10932-10944
4030115 CIFC22 H33 N O5C 1 2 118.4924; 10.2023; 11.8598
90; 100.565; 90		2199.6Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.
Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.
The Journal of organic chemistry, 2014, 79, 10932-10944
4030116 CIFC19 H29 N O4P 1 21 110.6486; 8.3141; 11.0574
90; 105.074; 90		945.26Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.
Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.
The Journal of organic chemistry, 2014, 79, 10932-10944
4030117 CIFC15 H19 N O3P 1 21 17.7876; 9.2123; 9.6509
90; 107.017; 90		662.06Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.
Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.
The Journal of organic chemistry, 2014, 79, 10932-10944
4030118 CIFC14 H26 N2 O8P 21 21 218.9839; 9.0223; 9.7106
90; 90; 90		787.1Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.
Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.
The Journal of organic chemistry, 2014, 79, 10932-10944
4030119 CIFC15 H19 N O4R 3 :H25.9883; 25.9883; 5.81758
90; 90; 120		3402.74Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.
Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.
The Journal of organic chemistry, 2014, 79, 10932-10944
4030120 CIFC52 H43 N2 O2 SP -113.0557; 13.3816; 13.8875
117.991; 107.05; 92.902		1996.69Fosu, Stacy C.; Ferrence, Gregory M.; Lash, Timothy D.
Synthesis and metalation of dimethoxybenziporphyrins, thiabenziporphyrins, and dibenziporphyrins.
The Journal of organic chemistry, 2014, 79, 11061-11074
4030121 CIFC48 H31 Cl3 N2 O2 Pd SP 1 21/c 112.952; 23.282; 13.42
90; 108.926; 90		3828Fosu, Stacy C.; Ferrence, Gregory M.; Lash, Timothy D.
Synthesis and metalation of dimethoxybenziporphyrins, thiabenziporphyrins, and dibenziporphyrins.
The Journal of organic chemistry, 2014, 79, 11061-11074
4030122 CIFC21 H22 Br N O5 SP 1 21/c 110.5808; 10.1713; 19.4113
90; 92.635; 90		2086.84Wu, Lijun; Huang, Hui; Liang, Yun; Cheng, Pi
Regio- and stereoselective synthesis of 2-amino-dienes via decarboxylative amination of 4-(ethoxycarbonyl)-2,3-allenols by TsNCO.
The Journal of organic chemistry, 2014, 79, 11264-11269
4030123 CIFC17 H19 N O4P 21 21 219.0976; 9.3489; 18.199
90; 90; 90		1547.9Bos, Maxence; Riguet, Emmanuel
Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.
The Journal of organic chemistry, 2014, 79, 10881-10889
4030124 CIFC22 H28 N2 O5P 1 21 19.3395; 9.881; 11.877
90; 101.85; 90		1072.7Bos, Maxence; Riguet, Emmanuel
Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.
The Journal of organic chemistry, 2014, 79, 10881-10889
4030125 CIFC17 H18 Br N O4P 41 21 211.0691; 11.0691; 54.673
90; 90; 90		6698.8Bos, Maxence; Riguet, Emmanuel
Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.
The Journal of organic chemistry, 2014, 79, 10881-10889
4030126 CIFC18 H18 N2 O2P 1 21/c 16.9323; 15.4032; 14.774
90; 93.929; 90		1573.85Sarraf, Daad; Richy, Nicolas; Vidal, Joëlle
Synthesis of lactams by isomerization of oxindoles substituted at C-3 by an ω-amino chain.
The Journal of organic chemistry, 2014, 79, 10945-10955
4030127 CIFC24 H21 Cl N2 O6P -19.554; 11.029; 12.179
91.515; 100.99; 115.566		1128Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian
AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block.
The Journal of organic chemistry, 2014, 79, 11161-11169
4030128 CIFC23 H21 Cl2 N O4P -112.287; 14.357; 14.46
70.247; 68.697; 71.843		2184Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian
AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block.
The Journal of organic chemistry, 2014, 79, 11161-11169
4030129 CIFC17 H16 Cl N O4P 1 21/n 19.411; 11.214; 15.479
90; 98.632; 90		1615.1Xu, Shibo; Li, Chunju; Jia, Xueshun; Li, Jian
AlCl3-promoted selective Michael addition with allenoate and methyleneindolinone: synthesis of spirocyclic oxindole by using allenoate as a four-carbon component building block.
The Journal of organic chemistry, 2014, 79, 11161-11169
4030130 CIFC20 H17 N O4C 1 c 17.986; 19.283; 10.936
90; 96.99; 90		1672Zhang, Yan-Jing; Hou, Qi-Lan; Wang, Hai-Jing; Liao, Wei-Wei
Lewis base-promoted rearrangement of allylic cyanohydrins: construction of functionalized nitriles bearing 1,3-diketone moieties.
The Journal of organic chemistry, 2014, 79, 10890-10898
4030131 CIFC32 H27 Cl N4P -110.252; 10.6251; 13.0929
90.313; 111.307; 107.904		1253.27Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang
Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.
The Journal of organic chemistry, 2014, 79, 11110-11118
4030132 CIFC30 H24 N4 O2P 18.0316; 9.266; 9.7678
110.117; 113.018; 94.668		608.32Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang
Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.
The Journal of organic chemistry, 2014, 79, 11110-11118
4030133 CIFC34 H28 N6 O2P -110.1833; 11.2946; 12.4239
102.068; 91.225; 91.272		1396.5Tu, Xing-Jun; Hao, Wen-Juan; Ye, Qin; Wang, Shuang-Shuang; Jiang, Bo; Li, Guigen; Tu, Shu-Jiang
Four-component bicyclization approaches to skeletally diverse pyrazolo[3,4-b]pyridine derivatives.
The Journal of organic chemistry, 2014, 79, 11110-11118
4030135 CIFC20 H18 N2 O4P 1 21/c 113.7987; 11.0811; 10.9368
90; 98.595; 90		1653.5Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.
Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.
The Journal of organic chemistry, 2014, 79, 10956-10971
4030136 CIFC20 H18 N2 O4P 1 21/n 17.4392; 21.5625; 10.4467
90; 101.744; 90		1640.65Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.
Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.
The Journal of organic chemistry, 2014, 79, 10956-10971
4030137 CIFC17 H18 N O2P 1 21 18.0631; 6.911; 12.3303
90; 92.691; 90		686.34Mukhina, Olga A.; Kumar, N. N. Bhuvan; Cowger, Teresa M.; Kutateladze, Andrei G.
Photoassisted diversity-oriented synthesis: accessing 2,6-epoxyazocane (oxamorphan) cores.
The Journal of organic chemistry, 2014, 79, 10956-10971
4030138 CIFC50 H86 N28 O26P -111.6609; 12.215; 12.4769
94.292; 111.107; 104.547		1577.7Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang
Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.
The Journal of organic chemistry, 2014, 79, 11194-11198
4030139 CIFC46 H82 N28 O28P -112.297; 12.3805; 12.5907
118.978; 95.084; 104.624		1571.4Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang
Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.
The Journal of organic chemistry, 2014, 79, 11194-11198
4030140 CIFC44 H74 N28 O26C 1 2/c 121.163; 14.201; 20.285
90; 107.442; 90		5816.1Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang
Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.
The Journal of organic chemistry, 2014, 79, 11194-11198
4030141 CIFC48 H86 N28 O28P -112.3509; 12.4048; 21.735
104.345; 97.559; 93.494		3183Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang
Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.
The Journal of organic chemistry, 2014, 79, 11194-11198
4030142 CIFC42 H78 N28 O30P b c a22.652; 11.965; 23.937
90; 90; 90		6488Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang
Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.
The Journal of organic chemistry, 2014, 79, 11194-11198
4030143 CIFC84 H120 O16P -115.775; 22.923; 12.27
99.919; 111.026; 81.18		4059Ghirga, Francesca; Quaglio, Deborah; Iovine, Valentina; Botta, Bruno; Pierini, Marco; Mannina, Luisa; Sobolev, Anatoly P.; Ugozzoli, Franco; D'Acquarica, Ilaria
Synthesis of a double-spanned resorc[4]arene via ring-closing metathesis and calculation of aggregation propensity.
The Journal of organic chemistry, 2014, 79, 11051-11060
4030145 CIFC31 H20 F3 N3 OP 1 n 110.8941; 19.949; 11.7899
90; 94.385; 90		2554.8Gunasekaran, Pethaiah; Perumal, Subbu; Menéndez, J Carlos; Mancinelli, Michele; Ranieri, Silvia; Mazzanti, Andrea
Axial chirality of 4-arylpyrazolo[3,4-b]pyridines. Conformational analysis and absolute configuration.
The Journal of organic chemistry, 2014, 79, 11039-11050
4030146 CIFC29 H22 F3 N3 OP -18.659; 10.157; 14.308
97.338; 94.911; 107.3		1181.4Gunasekaran, Pethaiah; Perumal, Subbu; Menéndez, J Carlos; Mancinelli, Michele; Ranieri, Silvia; Mazzanti, Andrea
Axial chirality of 4-arylpyrazolo[3,4-b]pyridines. Conformational analysis and absolute configuration.
The Journal of organic chemistry, 2014, 79, 11039-11050
4030147 CIFC30 H24 Cl F N O2 PP 1 21 18.467; 14.563; 20.469
90; 91.636; 90		2522.9Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo
Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.
The Journal of organic chemistry, 2014, 79, 11101-11109
4030148 CIFC30 H24 Cl2 N O2 PP 21 21 2111.54; 14.08; 16.285
90; 90; 90		2646Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo
Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.
The Journal of organic chemistry, 2014, 79, 11101-11109
4030149 CIFC30 H24 Br Cl N O2 PP 21 21 2111.5133; 14.2627; 16.305
90; 90; 90		2677.5Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo
Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.
The Journal of organic chemistry, 2014, 79, 11101-11109
4030150 CIFC30 H25 Cl N O2 PP 21 21 2112.5547; 9.004; 22.0651
90; 90; 90		2494.3Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo
Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.
The Journal of organic chemistry, 2014, 79, 11101-11109
4030151 CIFC42 H60 O6P 21 21 218.2377; 12.7351; 38.5075
90; 90; 90		4039.74Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe
Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.
The Journal of organic chemistry, 2014, 79, 9531-9545
4030152 CIFC35 H40 O7P 1 21 112.6491; 7.4042; 16.8171
90; 101.056; 90		1545.8Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe
Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.
The Journal of organic chemistry, 2014, 79, 9531-9545
4030155 CIFC21 H18 Br N OP 21 21 215.8502; 11.47; 26.509
90; 90; 90		1778.8Ren, Yuan-Yuan; Wang, You-Qing; Liu, Shuang
Asymmetric alkynylation of seven-membered cyclic imines by combining chiral phosphoric acids and Ag(I) catalysts: synthesis of 11-substituted-10,11-dihydrodibenzo[b,f][1,4]oxazepine derivatives.
The Journal of organic chemistry, 2014, 79, 11759-11767
4030156 CIFC20 H21 N O5P 1 21/c 17.966; 17.26; 12.842
90; 94.67; 90		1760Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier
Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.
The Journal of organic chemistry, 2014, 79, 11316-11329
4030157 CIFC16 H21 N O5P 1 21/n 17.942; 17.973; 10.869
90; 106.5; 90		1488Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier
Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.
The Journal of organic chemistry, 2014, 79, 11316-11329
4030158 CIFC19 H21 N O5P 1 21/c 116.2047; 9.6713; 11.584
90; 108.758; 90		1719Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier
Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.
The Journal of organic chemistry, 2014, 79, 11316-11329
4030159 CIFC25 H25 N O5C 1 c 123.22; 6.4634; 14.462
90; 94.873; 90		2162.6Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier
Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.
The Journal of organic chemistry, 2014, 79, 11316-11329

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