Crystallography Open Database

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4024068 CIFC38 H46 O6P 1 21 110.4553; 23.32; 13.9462
90; 92.526; 90
3397Masayuki Yamashita; Navnath Dnyanoba Yadav; Takeshi Sawaki; Ikuko Takao; Ikuo Kawasaki; Yasuko Sugimoto; Akemi Miyatake; Kousuke Murai; Ayano Takahara; Ai Kurume; Shunsaku Ohta
Asymmetric Total Synthesis of (-)-Linderol A
Journal of Organic Chemistry, 2007, 72, 5697-5703
4024069 CIFC32 H34 O6P 1 21 18.0442; 9.0713; 18.9881
90; 91.249; 90
1385.3Masayuki Yamashita; Navnath Dnyanoba Yadav; Takeshi Sawaki; Ikuko Takao; Ikuo Kawasaki; Yasuko Sugimoto; Akemi Miyatake; Kousuke Murai; Ayano Takahara; Ai Kurume; Shunsaku Ohta
Asymmetric Total Synthesis of (-)-Linderol A
Journal of Organic Chemistry, 2007, 72, 5697-5703
4024070 CIFC18 H20 N2 O5 SP 21 21 217.4451; 14.8116; 16.3139
90; 90; 90
1799Susan A. Garner; Michael J. Krische
Rhodium-Catalyzed Reductive Mannich Coupling of Vinyl Ketones to N-Sulfonylimines Mediated by Hydrogen
Journal of Organic Chemistry, 2007, 72, 5843-5846
4024071 CIFC38 H52 N2 O2P 1 21 110.224; 9.366; 16.942
90; 92.86; 90
1620.4Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola
Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis
Journal of Organic Chemistry, 2007, 72, 5759-5770
4024072 CIFC25 H35 N O3P 21 21 219.567; 10.794; 23.003
90; 90; 90
2375.3Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola
Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis
Journal of Organic Chemistry, 2007, 72, 5759-5770
4024073 CIFC17 H22 N2 O3P 1 21 110.6078; 11.6253; 13.1419
90; 92.734; 90
1618.8Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola
Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis
Journal of Organic Chemistry, 2007, 72, 5759-5770
4024074 CIFC23 H32 N2 O4P 1 21 18.633; 9.999; 13.048
90; 95.02; 90
1122Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola
Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis
Journal of Organic Chemistry, 2007, 72, 5759-5770
4024075 CIFC18 H24 N2 O3P 21 21 2113.4677; 14.3805; 17.864
90; 90; 90
3459.7Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola
Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis
Journal of Organic Chemistry, 2007, 72, 5759-5770
4024076 CIFC26 H38 N2 O4P 19.395; 11.052; 13.035
106.77; 91.97; 93.72
1291.2Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola
Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis
Journal of Organic Chemistry, 2007, 72, 5759-5770
4024077 CIFC22 H24P -110.1622; 11.5565; 16.7153
70.356; 73.339; 64.827
1649.3Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu
Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes
Journal of Organic Chemistry, 2007, 72, 6251-6254
4024078 CIFC22 H24P -18.4851; 8.6692; 11.7774
103.661; 98.748; 99.811
812.61Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu
Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes
Journal of Organic Chemistry, 2007, 72, 6251-6254
4024079 CIFC22 H22 Br2P -19.9768; 11.5045; 18.2991
80.1604; 76.659; 67.7642
1883.52Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu
Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes
Journal of Organic Chemistry, 2007, 72, 6251-6254
4024080 CIFC22 H22 Br2P -18.593; 11.344; 11.883
104.91; 108.71; 110.08
938.4Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu
Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes
Journal of Organic Chemistry, 2007, 72, 6251-6254
4024081 CIFC24 H28P -19.5186; 12.2793; 16.6625
98.6777; 97.2329; 102.827
1851.35Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu
Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes
Journal of Organic Chemistry, 2007, 72, 6251-6254
4024082 CIFC42 H36P -111.2423; 11.793; 13.3567
108.197; 105.652; 108.365
1457.4Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu
Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes
Journal of Organic Chemistry, 2007, 72, 6251-6254
4024083 CIFC37 H35 Br2 N2 O4P -110.594; 11.26; 14.358
80.293; 68.793; 89.138
1571.93Paramasivan Rajasingh; Revital Cohen; Elijah Shirman; Linda J. W. Shimon; Boris Rybtchinski
Selective Bromination of Perylene Diimides under Mild Conditions
Journal of Organic Chemistry, 2007, 72, 5973-5979
4024084 CIFC23 H19 F3 N2 O SC 1 2 145.0275; 7.2114; 6.1034
90; 95.116; 90
1973.95José Luis García Ruano; Ana M. Martín-Castro; Francisco Tato; Inés Alonso
Stereoselective Quaternization of α-Amino Phenylacetonitriles Mediated by a Remote Sulfinyl Group
Journal of Organic Chemistry, 2007, 72, 5994-6005
4024085 CIFC22 H20 N2 O3 S2P 1 21 19.6663; 10.7795; 10.0018
90; 97.002; 90
1034.4José Luis García Ruano; Ana M. Martín-Castro; Francisco Tato; Inés Alonso
Stereoselective Quaternization of α-Amino Phenylacetonitriles Mediated by a Remote Sulfinyl Group
Journal of Organic Chemistry, 2007, 72, 5994-6005
4024086 CIFC49 H50 Cl2 N4 O2 S2P 1 21 112.5771; 11.765; 15.0272
90; 92.852; 90
2220.8José Luis García Ruano; Ana M. Martín-Castro; Francisco Tato; Inés Alonso
Stereoselective Quaternization of α-Amino Phenylacetonitriles Mediated by a Remote Sulfinyl Group
Journal of Organic Chemistry, 2007, 72, 5994-6005
4024087 CIFC16 H14 O3P 1 21/c 112.3408; 12.8642; 7.746
90; 98.089; 90
1217.48Ibrar Hussain; Van Thi Hong Nguyen; Mirza Arfan Yawer; Tuan Thanh Dang; Christine Fischer; Helmut Reinke; Peter Langer
Synthesis of Dibenzo[b,d]pyran-6-ones Based on [3 + 3] Cyclizations of 1,3-Bis(silyl enol ethers) with 3-Silyloxy-2-en-1-ones
Journal of Organic Chemistry, 2007, 72, 6255-6258
4024088 CIFC19 H17 N O2P 1 21/c 18.8222; 32.448; 10.488
90; 90.097; 90
3002.3Howard E. Zimmerman; Oleg D. Mitkin
The Aza-Type-B Photochemical Rearrangement: The Role of a Second Carbonyl in Heterocyclic Photochemistry. Mechanistic and Exploratory Organic Photochemistry
Journal of Organic Chemistry, 2007, 72, 6091-6096
4024089 CIFC40 H42 N2 O2P 1 21 16.7633; 13.7539; 17.2571
90; 96.485; 90
1595.01Vito Capriati; Saverio Florio; Renzo Luisi; Filippo Maria Perna
Synthesis of 2,3-Dihydro-10bH-oxazolo[2,3-a]isoquinolines from ortho-Lithiated Phenyloxazolinyloxiranes
Journal of Organic Chemistry, 2007, 72, 6316-6319
4024090 CIFC14 H17 N O2I b a 218.3485; 16.3317; 8.575
90; 90; 90
2569.6Vito Capriati; Saverio Florio; Renzo Luisi; Filippo Maria Perna
Synthesis of 2,3-Dihydro-10bH-oxazolo[2,3-a]isoquinolines from ortho-Lithiated Phenyloxazolinyloxiranes
Journal of Organic Chemistry, 2007, 72, 6316-6319
4024091 CIFC32 H29 N3 O SP 1 21/n 114.697; 8.0055; 22.71
90; 91.738; 90
2670.8Jia-Qi Li; Rong-Zhen Liao; Wan-Jian Ding; Ying Cheng
Highly Efficient and Site-Selective [3 + 2] Cycloaddition of Carbene-Derived Ambident Dipoles with Ketenes for a Straightforward Synthesis of Spiro-Pyrrolidones
Journal of Organic Chemistry, 2007, 72, 6266-6269
4024092 CIFC25 H20 Au Cl P SC 1 2/c 123.149; 12.4217; 18.529
90; 125.65; 90
4329.6Yoshihiro Matano; Tooru Miyajima; Hiroshi Imahori; Yoshifumi Kimura
Synthesis of 2-Aryl-5-styrylphospholes: Promising Candidates for the Phosphole-Based NLO Chromophores
Journal of Organic Chemistry, 2007, 72, 6200-6205
4024093 CIFC15 H18 N4 O6P 1 21 110.342; 7.731; 20.344
90; 100.453; 90
1599.5Emel Adaligil; Barry D. Davis; David G. Hilmey; Young Shen; Jason M. Spruell; Jennifer S. Brodbelt; K. N. Houk; Leo A. Paquette
Synthesis of, and Structural Assignments to the Stereoisomers of Bis (2,2')- and Tris (2,2',2' ')-Tetrahydrofurans: Conformational Features and Ionic Binding Capacities of These Gateway Polycyclic Networks
Journal of Organic Chemistry, 2007, 72, 6215-6223
4024094 CIFC97 H86 Cl2 N4 O18P -116.3542; 17.9863; 18.0871
66.749; 85.227; 63.118
4330.46Seung-Doo Jeong; Seong-Jin Hong; Kee Jong Park; Sihyun Ham; Jonathan L. Sessler; Vincent Lynch; Chang-Hee Lee
Core-Modified, meso-Alkylidenyl Porphyrins and Their Expanded Analogues: A New Family of Nonplanar Porphyrinoids
Journal of Organic Chemistry, 2007, 72, 6232-6240
4024095 CIFC112 H120 N4 O16 S2P -113.3598; 18.5652; 23.1445
71.668; 84.352; 77.554
5318.2Seung-Doo Jeong; Seong-Jin Hong; Kee Jong Park; Sihyun Ham; Jonathan L. Sessler; Vincent Lynch; Chang-Hee Lee
Core-Modified, meso-Alkylidenyl Porphyrins and Their Expanded Analogues: A New Family of Nonplanar Porphyrinoids
Journal of Organic Chemistry, 2007, 72, 6232-6240
4024096 CIFC48 H42 N2 O9P -112.5773; 13.0527; 14.9394
103.581; 103.794; 113.814
2022.1Seung-Doo Jeong; Seong-Jin Hong; Kee Jong Park; Sihyun Ham; Jonathan L. Sessler; Vincent Lynch; Chang-Hee Lee
Core-Modified, meso-Alkylidenyl Porphyrins and Their Expanded Analogues: A New Family of Nonplanar Porphyrinoids
Journal of Organic Chemistry, 2007, 72, 6232-6240
4024097 CIFC47 H41 N3 O9P -112.1293; 13.3588; 13.7337
68.826; 83.025; 75.297
2006Seung-Doo Jeong; Seong-Jin Hong; Kee Jong Park; Sihyun Ham; Jonathan L. Sessler; Vincent Lynch; Chang-Hee Lee
Core-Modified, meso-Alkylidenyl Porphyrins and Their Expanded Analogues: A New Family of Nonplanar Porphyrinoids
Journal of Organic Chemistry, 2007, 72, 6232-6240
4024098 CIFC9 H18 B N O4P 21 21 216.5412; 9.2157; 20.015
90; 90; 90
1206.54Andrei S. Batsanov; Christophe Grosjean; Thorben Schütz; Andrew Whiting
A (-)-Sparteine-Directed Highly Enantioselective Synthesis of Boroproline. Solid- and Solution-State Structure and Properties
Journal of Organic Chemistry, 2007, 72, 6276-6279
4024099 CIFC23 H28 B N O4P 1 21 110.8981; 8.7698; 10.9656
90; 91.19; 90
1047.8Andrei S. Batsanov; Christophe Grosjean; Thorben Schütz; Andrew Whiting
A (-)-Sparteine-Directed Highly Enantioselective Synthesis of Boroproline. Solid- and Solution-State Structure and Properties
Journal of Organic Chemistry, 2007, 72, 6276-6279
4024100 CIFC19 H22 O4P 1 21 19.795; 8.637; 9.836
90; 103.874; 90
807.8Nathalie Lebrasseur; Julien Gagnepain; Aurélie Ozanne-Beaudenon; Jean-Michel Léger; Stéphane Quideau
Efficient Access to Orthoquinols and Their [4 + 2] Cyclodimers via SIBX-Mediated Hydroxylative Phenol Dearomatization
Journal of Organic Chemistry, 2007, 72, 6280-6283
4024101 CIFC18 H24 O4P -16.7731; 8.4962; 15.1193
94.33; 92.99; 111.162
806.1Nathalie Lebrasseur; Julien Gagnepain; Aurélie Ozanne-Beaudenon; Jean-Michel Léger; Stéphane Quideau
Efficient Access to Orthoquinols and Their [4 + 2] Cyclodimers via SIBX-Mediated Hydroxylative Phenol Dearomatization
Journal of Organic Chemistry, 2007, 72, 6280-6283
4024102 CIFC16 H20 O4P 21 21 218.521; 9.176; 17.747
90; 90; 90
1387.6Nathalie Lebrasseur; Julien Gagnepain; Aurélie Ozanne-Beaudenon; Jean-Michel Léger; Stéphane Quideau
Efficient Access to Orthoquinols and Their [4 + 2] Cyclodimers via SIBX-Mediated Hydroxylative Phenol Dearomatization
Journal of Organic Chemistry, 2007, 72, 6280-6283
4024103 CIFC20 H28 O4P 1 21/c 110.143; 21.7743; 8.3134
90; 105.954; 90
1765.3Nathalie Lebrasseur; Julien Gagnepain; Aurélie Ozanne-Beaudenon; Jean-Michel Léger; Stéphane Quideau
Efficient Access to Orthoquinols and Their [4 + 2] Cyclodimers via SIBX-Mediated Hydroxylative Phenol Dearomatization
Journal of Organic Chemistry, 2007, 72, 6280-6283
4024104 CIFC32 H31 F12 N O2 P2 S2P 1 21/n 117.415; 12.538; 17.415
90; 113; 90
3500.2Bing-Jun Zhao; Henry J. Shine; John N. Marx; Cristina Hofmann; Kenton H. Whitmire
Addition of the Phenoxathiin Cation Radical to Alkenes and Nonconjugated Dienes. Formation of (E)- and (Z)-(10-Phenoxathiiniumyl)alkenes and (E)- and (Z)-(10-Phenoxathiiniumyl)dienes on Basic Alumina
Journal of Organic Chemistry, 2007, 72, 6154-6161
4024105 CIFC16 H15 F6 O P SP -18.5232; 9.801; 11.406
104.63; 90.817; 106.22
881.5Bing-Jun Zhao; Henry J. Shine; John N. Marx; Cristina Hofmann; Kenton H. Whitmire
Addition of the Phenoxathiin Cation Radical to Alkenes and Nonconjugated Dienes. Formation of (E)- and (Z)-(10-Phenoxathiiniumyl)alkenes and (E)- and (Z)-(10-Phenoxathiiniumyl)dienes on Basic Alumina
Journal of Organic Chemistry, 2007, 72, 6154-6161
4024106 CIFC10 H17 N3 O5P 18.083; 11.4021; 14.4056
92.201; 90.443; 104.495
1284.3Olivier Loiseleur; Dougal Ritson; Mafalda Nina; Patrick Crowley; Trixie Wagner; Stephen Hanessian
Ring-Modified Analogues and Molecular Dynamics Studies To Probe the Requirements for Fungicidal Activities of Malayamycin A and Its N-Nucleoside Variants
Journal of Organic Chemistry, 2007, 72, 6353-6363
4024107 CIFC15.5 H26.5 N5 O6.25P 21 21 2111.23; 13.374; 25.007
90; 90; 90
3755.8Olivier Loiseleur; Dougal Ritson; Mafalda Nina; Patrick Crowley; Trixie Wagner; Stephen Hanessian
Ring-Modified Analogues and Molecular Dynamics Studies To Probe the Requirements for Fungicidal Activities of Malayamycin A and Its N-Nucleoside Variants
Journal of Organic Chemistry, 2007, 72, 6353-6363
4024108 CIFC15 H13 N3 OP c a 2110.7003; 14.395; 8.1812
90; 90; 90
1260.2Rodney F. Klima; Abhijit V. Jadhav; Pradeep N. D. Singh; Mingxin Chang; Christine Vanos; Jagadis Sankaranarayanan; Mai Vu; Nazarin Ibrahim; Elaine Ross; Shaun McCloskey; Rajesh S. Murthy; Jeanette A. Krause; Bruce S. Ault; Anna D. Gudmundsdóttir
Photoinduced C-N Bond Cleavage in 2-Azido-1,3-diphenyl-propan-1-one Derivatives: Photorelease of Hydrazoic Acid
Journal of Organic Chemistry, 2007, 72, 6372-6381
4024109 CIFC30 H24 O2P 1 21/c 116.5672; 5.917; 23.228
90; 104.453; 90
2204.9Rodney F. Klima; Abhijit V. Jadhav; Pradeep N. D. Singh; Mingxin Chang; Christine Vanos; Jagadis Sankaranarayanan; Mai Vu; Nazarin Ibrahim; Elaine Ross; Shaun McCloskey; Rajesh S. Murthy; Jeanette A. Krause; Bruce S. Ault; Anna D. Gudmundsdóttir
Photoinduced C-N Bond Cleavage in 2-Azido-1,3-diphenyl-propan-1-one Derivatives: Photorelease of Hydrazoic Acid
Journal of Organic Chemistry, 2007, 72, 6372-6381
4024110 CIFC34 H33 Cl6 NP 1 21/c 112.273; 21.104; 12.788
90; 101.141; 90
3249.8Ling Zhou; Tao-Xiang Zhang; Bing-Rui Li; Xiao-Ping Cao; Dietmar Kuck
C~3v~-Symmetrical Tribenzotriquinacenes Extended by Six C~1~-Functional Groups and the First Triquinacene-Based Tris(dithiametacyclophanes)
Journal of Organic Chemistry, 2007, 72, 6382-6389
4024111 CIFC32 H36 O8P -110.1378; 11.5653; 12.6616
75.685; 79.458; 68.905
1334.77Ling Zhou; Tao-Xiang Zhang; Bing-Rui Li; Xiao-Ping Cao; Dietmar Kuck
C~3v~-Symmetrical Tribenzotriquinacenes Extended by Six C~1~-Functional Groups and the First Triquinacene-Based Tris(dithiametacyclophanes)
Journal of Organic Chemistry, 2007, 72, 6382-6389
4024112 CIFC39 H50 Cl2 S6P m n 2115.031; 12.7781; 9.6823
90; 90; 90
1859.66Ling Zhou; Tao-Xiang Zhang; Bing-Rui Li; Xiao-Ping Cao; Dietmar Kuck
C~3v~-Symmetrical Tribenzotriquinacenes Extended by Six C~1~-Functional Groups and the First Triquinacene-Based Tris(dithiametacyclophanes)
Journal of Organic Chemistry, 2007, 72, 6382-6389
4024113 CIFC43 H50 Cl6 S6P -111.5676; 11.7065; 17.1424
80.568; 83.11; 82.016
2256.5Ling Zhou; Tao-Xiang Zhang; Bing-Rui Li; Xiao-Ping Cao; Dietmar Kuck
C~3v~-Symmetrical Tribenzotriquinacenes Extended by Six C~1~-Functional Groups and the First Triquinacene-Based Tris(dithiametacyclophanes)
Journal of Organic Chemistry, 2007, 72, 6382-6389
4024114 CIFC15 H12 O4P -17.51; 12.824; 13.261
73.61; 78.8; 87.33
1201.9Marie Varin; Angéle Chiaroni; Jean-Yves Lallemand; Bogdan Iorga; Catherine Guillou
A New Access to Dihydrotropones through Ring Expansion of Spirocyclohexadienones: Synthesis and Mechanism
Journal of Organic Chemistry, 2007, 72, 6421-6426
4024115 CIFC13 H18 O2P b c a15.5426; 8.5151; 17.1816
90; 90; 90
2273.93Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau
Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations
Journal of Organic Chemistry, 2007, 72, 6504-6512
4024116 CIFC13 H18 O2C 1 2/c 122.4807; 10.3086; 22.0953
90; 114.706; 90
4651.8Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau
Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations
Journal of Organic Chemistry, 2007, 72, 6504-6512
4024117 CIFC19 H19 N O5P 1 21/c 116.2752; 11.8402; 8.8053
90; 97.757; 90
1681.3Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau
Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations
Journal of Organic Chemistry, 2007, 72, 6504-6512

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