Crystallography Open Database

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4020651 CIFC26 H15 F18 N4 O12P 1 21/c 122.067; 19.299; 8.537
90; 100.13; 90
3579Jun Yin; Ronald L. Elsenbaumer
Efficient Synthesis and Characterization of Novel Bibenzimidazole Oligomers and Polymers as Potential Conjugated Chelating Ligands
Journal of Organic Chemistry, 2005, 70, 9436-9446
4020652 CIFC21 H38 O5 SiP 1 21/n 16.679; 33.845; 10.224
90; 97.295; 90
2292.4Robert S. Coleman; Srinivas Reddy Gurrala; Soumya Mitra; Amresh Raao
Asymmetric Total Synthesis of Dibenzocyclooctadiene Lignan Natural Products
Journal of Organic Chemistry, 2005, 70, 8932-8941
4020653 CIFC36 H52 O7 SiP 1 21/c 115.786; 20.987; 10.767
90; 98.914; 90
3524Robert S. Coleman; Srinivas Reddy Gurrala; Soumya Mitra; Amresh Raao
Asymmetric Total Synthesis of Dibenzocyclooctadiene Lignan Natural Products
Journal of Organic Chemistry, 2005, 70, 8932-8941
4020654 CIFC33 H53 O7 SiP -110.691; 11.526; 14.901
84.33; 75.379; 72.421
1693.2Robert S. Coleman; Srinivas Reddy Gurrala; Soumya Mitra; Amresh Raao
Asymmetric Total Synthesis of Dibenzocyclooctadiene Lignan Natural Products
Journal of Organic Chemistry, 2005, 70, 8932-8941
4020655 CIFC21 H18 Cl3 F N2 O4P 1 21 111.61; 7.5434; 12.8521
90; 104.621; 90
1089.12Hartmut Schirok; Cristina Alonso-Alija; Jordi Benet-Buchholz; Andreas H. Göller; Rolf Grosser; Martin Michels; Holger Paulsen
Efficient Regioselective Synthesis of 6-Amino-5-benzoyl-1-Substituted 2(1H)-Pyridinones
Journal of Organic Chemistry, 2005, 70, 9463-9469
4020656 CIFC10 H10 Br2 N2 O3P 21 21 215.497; 9.9352; 23.478
90; 90; 90
1282.2Jignesh Patel; Nadia Pelloux-Léon; Frédéric Minassian; Yannick Vallée
Syntheses of S-Enantiomers of Hanishin, Longamide B, and Longamide B Methyl Ester from L-Aspartic Acid β-Methyl Ester: Establishment of Absolute Stereochemistry
Journal of Organic Chemistry, 2005, 70, 9081-9084
4020657 CIFC24 H18 Fe2 O2P 21 21 2110.3484; 12.843; 26.7241
90; 90; 90
3551.75Angelica Aguilar-Aguilar; Annette D. Allen; Eduardo Peña Cabrera; Andrei Fedorov; Nanyan Fu; Huda Henry-Riyad; Jörg Leuninger; Ulrich Schmid; Thomas T. Tidwell; Rishi Verma
Ferrocenylketene and Ferrocenyl-1,2-bisketenes: Direct Observation and Reactivity Measurements
Journal of Organic Chemistry, 2005, 70, 9556-9561
4020658 CIFC17 H18 Fe O2 SiP 1 21/n 16.87; 20.553; 11.365
90; 104.83; 90
1551.3Angelica Aguilar-Aguilar; Annette D. Allen; Eduardo Peña Cabrera; Andrei Fedorov; Nanyan Fu; Huda Henry-Riyad; Jörg Leuninger; Ulrich Schmid; Thomas T. Tidwell; Rishi Verma
Ferrocenylketene and Ferrocenyl-1,2-bisketenes: Direct Observation and Reactivity Measurements
Journal of Organic Chemistry, 2005, 70, 9556-9561
4020659 CIFC22 H21 N SiP -18.7723; 8.8405; 11.9797
81.375; 78.537; 85.571
899.1Bogdan Marciniec; Mariusz Majchrzak; Wiesław Prukała; Maciej Kubicki; Dariusz Chadyniak
Highly Stereoselective Synthesis, Structure, and Application of (E)-9-[2-(Silyl)ethenyl]-9H-carbazoles
Journal of Organic Chemistry, 2005, 70, 8550-8555
4020660 CIFC17 H19 N SiP 1 21/n 114.789; 6.036; 18.275
90; 106.03; 90
1567.9Bogdan Marciniec; Mariusz Majchrzak; Wiesław Prukała; Maciej Kubicki; Dariusz Chadyniak
Highly Stereoselective Synthesis, Structure, and Application of (E)-9-[2-(Silyl)ethenyl]-9H-carbazoles
Journal of Organic Chemistry, 2005, 70, 8550-8555
4020661 CIFC19 H13 Cl N2 O2P 1 21/c 16.0925; 12.0434; 21.4699
90; 96.706; 90
1564.56Kamyar Afarinkia; Akmal Bahar; Michael J. Bearpark; Yésica García-Ramos; Andrea Ruggiero; Judi Neuss; Maushami Vyas
Investigation of the Diels-Alder Cycloadditions of 2(H)-1,4-Oxazin-2-ones
Journal of Organic Chemistry, 2005, 70, 9529-9537
4020662 CIFC26 H17 Br Cl N O3P 1 21/n 112.7087; 10.1688; 15.6737
90; 99.455; 90
1998Kamyar Afarinkia; Akmal Bahar; Michael J. Bearpark; Yésica García-Ramos; Andrea Ruggiero; Judi Neuss; Maushami Vyas
Investigation of the Diels-Alder Cycloadditions of 2(H)-1,4-Oxazin-2-ones
Journal of Organic Chemistry, 2005, 70, 9529-9537
4020663 CIFC34 H28 Co4 O16P 1 21/n 17.9987; 15.5029; 16.5298
90; 103.866; 90
1990.01Kevin M. Shea; Kristina D. Closser; Miriam M. Quintal
Nicholas Reactions with Carboxylic Acids for the Synthesis of Macrocyclic Diolides
Journal of Organic Chemistry, 2005, 70, 9088-9091
4020664 CIFC12 H15 N O3P -18.4864; 8.5814; 8.6437
98.452; 101.45; 114.134
544.4Yong-Hua Yang; Min Shi
Ring-Expanding Reaction of Cyclopropyl Amides with Triphenylphosphine and Carbon Tetrahalide
Journal of Organic Chemistry, 2005, 70, 8645-8648
4020665 CIFC28 H11 B F15 N OP n a 2115.511; 10.2182; 16.1676
90; 90; 90
2562.48Priyadarshine Hewavitharanage; Evgeny O. Danilov; Douglas C. Neckers
Pentafluorophenyl Transfer: A New Group-Transfer Reaction in Organoborate Salts
Journal of Organic Chemistry, 2005, 70, 10653-10659
4020666 CIFC56 H68 Si4P 1 21/n 111.6318; 18.6066; 13.2326
90; 112.289; 90
2649.9Hajime Maeda; Ko-ichi Nishimura; Kazuhiko Mizuno; Minoru Yamaji; Juro Oshima; Seiji Tobita
Synthesis and Photochemical Properties of Stilbenophanes Tethered by Silyl Chains. Control of (2π+2π) Photocycloaddition, Cis-Trans Photoisomerization, and Photocyclization
Journal of Organic Chemistry, 2005, 70, 9693-9701
4020667 CIFC56 H48 Si2P 1 21/n 19.747; 14.336; 15.906
90; 102.08; 90
2173.4Hajime Maeda; Ko-ichi Nishimura; Kazuhiko Mizuno; Minoru Yamaji; Juro Oshima; Seiji Tobita
Synthesis and Photochemical Properties of Stilbenophanes Tethered by Silyl Chains. Control of (2π+2π) Photocycloaddition, Cis-Trans Photoisomerization, and Photocyclization
Journal of Organic Chemistry, 2005, 70, 9693-9701
4020668 CIFC36 H34 Cl8 O8P 1 21/n 110.0829; 13.0345; 29.465
90; 97.475; 90
3839.5Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng
Bicyclo[2.2.2]octene-Based "Crab-like" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures
Journal of Organic Chemistry, 2005, 70, 9717-9726
4020669 CIFC132 H126 O12P -112.119; 21.628; 21.812
114.94; 90.12; 106.06
4935.7Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng
Bicyclo[2.2.2]octene-Based "Crab-like" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures
Journal of Organic Chemistry, 2005, 70, 9717-9726
4020670 CIFC64 H50 O4P -110.1163; 13.3844; 18.6525
73.316; 77.567; 68.352
2231.6Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng
Bicyclo[2.2.2]octene-Based "Crab-like" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures
Journal of Organic Chemistry, 2005, 70, 9717-9726
4020671 CIFC90.5 H90 Ag2 B2 Cl F8 N7 O8P 1 21/c 124.6645; 17.5336; 19.816
90; 98.469; 90
8476.1Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng
Bicyclo[2.2.2]octene-Based "Crab-like" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures
Journal of Organic Chemistry, 2005, 70, 9717-9726
4020672 CIFC42 H40 Ag N3 O7P 1 2/c 120.275; 6.5897; 28.606
90; 113.243; 90
3511.7Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng
Bicyclo[2.2.2]octene-Based "Crab-like" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures
Journal of Organic Chemistry, 2005, 70, 9717-9726
4020673 CIFC16 H22 N3 O3P 1 21/c 117.431; 9.0482; 11.2508
90; 105.479; 90
1710.1Maxim A. Voinov; Julya F. Polienko; Thomas Schanding; Andrey A. Bobko; Valery V. Khramtsov; Yury V. Gatilov; Tatyana V. Rybalova; Alex I. Smirnov; Igor A. Grigor'ev
Synthesis, Structure, and X-Band (9.5 GHz) EPR Characterization of the New Series of pH-Sensitive Spin Probes: N,N-Disubstituted 4-Amino-2,2,5,5-tetramethyl-3-imidazoline 1-Oxyls
Journal of Organic Chemistry, 2005, 70, 9702-9711
4020674 CIFC22 H20 O4P 1 21/c 115.833; 4.6775; 12.142
90; 100.159; 90
885.1Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto
Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity
Journal of Organic Chemistry, 2005, 70, 9755-9763
4020675 CIFC24 H24 O4C 1 2/c 135.281; 4.6868; 12.1021
90; 97.519; 90
1984Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto
Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity
Journal of Organic Chemistry, 2005, 70, 9755-9763
4020676 CIFC26 H28 O4P 1 21/c 119.63; 4.6867; 12.0309
90; 94.459; 90
1103.5Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto
Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity
Journal of Organic Chemistry, 2005, 70, 9755-9763
4020677 CIFC28 H32 O4C 1 2/c 144.904; 4.675; 12.0495
90; 104.224; 90
2451.9Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto
Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity
Journal of Organic Chemistry, 2005, 70, 9755-9763
4020678 CIFC28 H32 O4P 1 21/c 113.742; 14.6337; 13.1471
90; 115.786; 90
2380.6Yoriko Sonoda; Yuji Kawanishi; Seiji Tsuzuki; Midori Goto
Crystalline-State Z,E-Photoisomerization of a Series of (Z,E,Z)-1,6-Diphenylhexa-1,3,5-triene 4,4'-Dicarboxylic Acid Dialkyl Esters. Chain Length Effects on the Crystal Structure and Photoreactivity
Journal of Organic Chemistry, 2005, 70, 9755-9763
4020679 CIFC18 H29 N O3P 21 21 2110.354; 11.028; 14.928
90; 90; 90
1704.5Rajesh Iyengar; Klaas Schildknegt; Martha Morton; Jeffrey Aubé
Revisiting a Classic Approach to the Aspidosperma Alkaloids: An Intramolecular Schmidt Reaction Mediated Synthesis of (+)-Aspidospermidine
Journal of Organic Chemistry, 2005, 70, 10645-10652
4020680 CIFC32 H30 B2 F8 S4P 1 21/n 110.1624; 15.3277; 21.681
90; 94.117; 90
3368.4Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire
Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols
Journal of Organic Chemistry, 2005, 70, 9764-9770
4020681 CIFC22 H25 B F4 S2C 1 2/c 120.296; 13.134; 18.991
90; 116.989; 90
4511.1Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire
Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols
Journal of Organic Chemistry, 2005, 70, 9764-9770
4020682 CIFC31 H27 B2 F8 N S4P 1 21/n 111.4982; 12.4392; 23.139
90; 99.488; 90
3264.2Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire
Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols
Journal of Organic Chemistry, 2005, 70, 9764-9770
4020683 CIFC15 H24 O5P 1 21 112.43; 5.3168; 12.926
90; 106.652; 90
818.4Jorge García-Fortanet; Juan Murga; Eva Falomir; Miguel Carda; J. Alberto Marco
Stereoselective Total Synthesis and Absolute Configuration of the Natural Decanolides (-)-Microcarpalide and (+)-Lethaloxin. Identity of (+)-Lethaloxin and (+)-Pinolidoxin
Journal of Organic Chemistry, 2005, 70, 9822-9827
4020684 CIFC29 H26 F6 O2C 1 2/c 118.718; 26.983; 13.365
90; 128.971; 90
5248.2Tadatsugu Yamaguchi; Masahiro Irie
Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives
Journal of Organic Chemistry, 2005, 70, 10323-10328
4020685 CIFC29 H26 F6 O2P 1 21/c 114.602; 9.4947; 19.285
90; 105.271; 90
2579.4Tadatsugu Yamaguchi; Masahiro Irie
Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives
Journal of Organic Chemistry, 2005, 70, 10323-10328
4020686 CIFC23 H14 F6 O2P 1 21/n 111.284; 9.34; 18.119
90; 93.793; 90
1905.4Tadatsugu Yamaguchi; Masahiro Irie
Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives
Journal of Organic Chemistry, 2005, 70, 10323-10328
4020687 CIFC23 H14 F6 O2P n a 2112.337; 9.686; 31.46
90; 90; 90
3760Tadatsugu Yamaguchi; Masahiro Irie
Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives
Journal of Organic Chemistry, 2005, 70, 10323-10328
4020688 CIFC16 H24 O9 S2P 1 21 110.3524; 9.7016; 31.2564
90; 94.7012; 90
3128.7Elizabeth J. Grayson; Sarah J. Ward; Alison L. Hall; Phillip M. Rendle; David P. Gamblin; Andrei S. Batsanov; Benjamin G. Davis
Glycosyl Disulfides: Novel Glycosylating Reagents with Flexible Aglycon Alteration
Journal of Organic Chemistry, 2005, 70, 9740-9754
4020689 CIFC15 H22 O11 S2P 21 21 219.279; 9.314; 47.04
90; 90; 90
4065Elizabeth J. Grayson; Sarah J. Ward; Alison L. Hall; Phillip M. Rendle; David P. Gamblin; Andrei S. Batsanov; Benjamin G. Davis
Glycosyl Disulfides: Novel Glycosylating Reagents with Flexible Aglycon Alteration
Journal of Organic Chemistry, 2005, 70, 9740-9754
4020690 CIFC33 H30 B F4 N6 O4.5C 1 2/c 129.18; 12.689; 19.779
90; 120.77; 90
6293.9Shin-ichi Naya; Junya Nishimura; Makoto Nitta
Novel Synthesis, Properties, and NAD^+^-NADH Type Redox Ability of 1,3-Dimethylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions Annulated with Additional Pyrrolo[2,3-d]pyrimidine-1,3(2,4H)-dione and Furan Analogue, and Their Hydride Adducts
Journal of Organic Chemistry, 2005, 70, 9780-9788
4020691 CIFC31 H25 B F4 N6 O4P 1 21/n 112.317; 11.894; 19.91
90; 100.5; 90
2868.7Shin-ichi Naya; Junya Nishimura; Makoto Nitta
Novel Synthesis, Properties, and NAD^+^-NADH Type Redox Ability of 1,3-Dimethylcyclohepta[4,5]pyrrolo[2,3-d]pyrimidine- 2,4(1,3H)-dionylium Ions Annulated with Additional Pyrrolo[2,3-d]pyrimidine-1,3(2,4H)-dione and Furan Analogue, and Their Hydride Adducts
Journal of Organic Chemistry, 2005, 70, 9780-9788
4020692 CIFC23 H34 O4P -17.782; 11.145; 13.821
72.23; 75.48; 70.62
1061.8Mihirbaran Mandal; Heedong Yun; Gregory B. Dudley; Songnian Lin; Derek S. Tan; Samuel J. Danishefsky
Total Synthesis of Guanacastepene A: A Route to Enantiomeric Control
Journal of Organic Chemistry, 2005, 70, 10619-10637
4020693 CIFC14 H26 N2 O2P 21 21 214.747; 18.745; 5.702
90; 90; 90
1576.2Claude Grison; Philippe Coutrot; Stéphane Genève; Claude Didierjean; Michel Marraud
Structural Investigation of "cis" and "trans" Vinylogous Peptides: cis-Vinylog Turn in Folded cis-Vinylogous Peptides, an Excellent Mimic of the Natural β-Turn
Journal of Organic Chemistry, 2005, 70, 10753-10764
4020694 CIFC21 H36 Cl2 N4 O5.3P 18.635; 8.793; 10.356
82.257; 73.341; 66.915
692.76Claude Grison; Philippe Coutrot; Stéphane Genève; Claude Didierjean; Michel Marraud
Structural Investigation of "cis" and "trans" Vinylogous Peptides: cis-Vinylog Turn in Folded cis-Vinylogous Peptides, an Excellent Mimic of the Natural β-Turn
Journal of Organic Chemistry, 2005, 70, 10753-10764
4020695 CIFC30 H16 Cl2 F8P 19.2819; 9.716; 21.2585
83.289; 80.492; 64.244
1700.78William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga
A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene
Journal of Organic Chemistry, 2005, 70, 10336-10341
4020696 CIFC30 H14 F8P 1 21/n 19.3031; 14.1979; 16.3548
90; 104.872; 90
2087.9William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga
A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene
Journal of Organic Chemistry, 2005, 70, 10336-10341
4020697 CIFC30 H14 F8 OP 1 21/n 19.2818; 14.745; 15.9431
90; 105.49; 90
2102.8William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga
A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene
Journal of Organic Chemistry, 2005, 70, 10336-10341
4020698 CIFC27 H29 N O5P 1 21 19.921; 27.47; 10.021
90; 118.67; 90
2396Jean-François Poisson; Arturo Orellana; Andrew E. Greene
Stereocontrolled Synthesis of (-)-Kainic Acid from trans-4-Hydroxy-L-proline
Journal of Organic Chemistry, 2005, 70, 10860-10863
4020699 CIFC13 H19 N O4C 1 2/c 120.4347; 6.6251; 19.3921
90; 96.979; 90
2605.9Birte Basler; Oliver Schuster; Thorsten Bach
Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening
Journal of Organic Chemistry, 2005, 70, 9798-9808
4020700 CIFC22.5 H25 Cl N2 O3P b c n32.3497; 9.9117; 12.2514
90; 90; 90
3928.3Birte Basler; Oliver Schuster; Thorsten Bach
Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening
Journal of Organic Chemistry, 2005, 70, 9798-9808

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