Crystallography Open Database

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7152452 CIFC52 H80 N2 O10P 1 21 111.2617; 7.6842; 27.7084
90; 93.487; 90
2393.37Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji
Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.
Organic & biomolecular chemistry, 2012, 10, 5985-5992
7152453 CIFC7 H9 F O3P 21 21 214.641; 10.535; 15.936
90; 90; 90
779.2Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek
Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.
Organic & biomolecular chemistry, 2012, 10, 6217-6229
7152454 CIFC17 H21 F O6P 1 21 18.2716; 10.4218; 10.0531
90; 106.384; 90
831.4Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek
Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.
Organic & biomolecular chemistry, 2012, 10, 6217-6229
7152455 CIFC7 H9 Cl O3P 1 21 112.125; 4.8704; 14.1
90; 92.283; 90
832Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek
Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.
Organic & biomolecular chemistry, 2012, 10, 6217-6229
7152456 CIFC22 H30 Cl3 N O4P -111.185; 11.218; 10.307
104.76; 91.6; 100.21
1227.1Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J.
Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids.
Organic & biomolecular chemistry, 2012, 10, 6130-6158
7152457 CIFC20 H21 N O4P 21 21 219.681; 28.33; 6.26
90; 90; 90
1716.9Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J.
Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids.
Organic & biomolecular chemistry, 2012, 10, 6130-6158
7152458 CIFC16 H31 N O4C 1 2 122.1832; 5.8375; 14.5119
90; 105.895; 90
1807.36Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.
On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.
Organic & biomolecular chemistry, 2012, 10, 6186-6200
7152459 CIFC16 H31 N O4P 1 21 15.7565; 19.43; 8.1386
90; 96.168; 90
905.02Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.
On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.
Organic & biomolecular chemistry, 2012, 10, 6186-6200
7152460 CIFC28 H39 N O4P 1 21 17.9717; 12.5518; 13.0678
90; 95.5854; 90
1301.35Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.
On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.
Organic & biomolecular chemistry, 2012, 10, 6186-6200
7152461 CIFC28 H39 N O4P 21 21 219.326; 13.7383; 20.3169
90; 90; 90
2603.07Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.
On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.
Organic & biomolecular chemistry, 2012, 10, 6186-6200
7152462 CIFC47 H77 Cl5 O15P 4116.0394; 16.0394; 21.4724
90; 90; 90
5524Paterson, Ian; Anderson, Edward A.; Dalby, Stephen M.; Lim, Jong Ho; Maltas, Philip
The stereocontrolled total synthesis of spirastrellolide A methyl ester. Fragment coupling studies and completion of the synthesis.
Organic & biomolecular chemistry, 2012, 10, 5873-5886
7152463 CIFC24 H21 N3 O5 SP 21 21 216.95676; 12.7545; 24.6435
90; 90; 90
2186.62Tsukano, Chihiro; Yokouchi, Shinsuke; Girard, Anne-Lise; Kuribayashi, Toshifumi; Sakamoto, Shota; Enomoto, Taro; Takemoto, Yoshiji
Platinum catalyzed 7-endo cyclization of internal alkynyl amides and its application to synthesis of the caprazamycin core.
Organic & biomolecular chemistry, 2012, 10, 6074-6086
7152464 CIFC18 H26 O4P 1 21/c 18.831; 9.455; 21.605
90; 99.62; 90
1778.6Mejuch, Tom; Dutta, Bishnu; Botoshansky, Mark; Marek, Ilan
Convergent diastereoselective preparation of adjacent quaternary stereocenters in an acyclic system.
Organic & biomolecular chemistry, 2012, 10, 5803-5806
7152465 CIFC17 H24 O4P -18.032; 9.304; 11.542
103.644; 92.877; 97.279
828.56Mejuch, Tom; Dutta, Bishnu; Botoshansky, Mark; Marek, Ilan
Convergent diastereoselective preparation of adjacent quaternary stereocenters in an acyclic system.
Organic & biomolecular chemistry, 2012, 10, 5803-5806
7152466 CIFC120 H94 N12 O4 Zn2P -110.09; 30.792; 31.472
103.63; 91.68; 93.67
9473Mulholland, Amy R.; Thordarson, Pall; Mensforth, Emily J.; Langford, Steven J.
Porphyrin dyads linked by a rotatable 3,3'-biphenyl scaffold: a new binding motif for small ditopic molecules.
Organic & biomolecular chemistry, 2012, 10, 6045-6053
7152467 CIFC82 H100 Cl12 N6 O6P -113.087; 13.192; 14.62
103.23; 107.21; 108.81
2130.5Kaufmann, Lena; Dzyuba, Egor V.; Malberg, Friedrich; Löw, Nora L; Groschke, Matthias; Brusilowskij, Boris; Huuskonen, Juhani; Rissanen, Kari; Kirchner, Barbara; Schalley, Christoph A.
Substituent effects on axle binding in amide pseudorotaxanes: comparison of NMR titration and ITC data with DFT calculations.
Organic & biomolecular chemistry, 2012, 10, 5954-5964
7152468 CIFC88 H102 Cl6 N6 O6C 1 2/c 125.976; 19.61; 19.93
90; 126.21; 90
8191Kaufmann, Lena; Dzyuba, Egor V.; Malberg, Friedrich; Löw, Nora L; Groschke, Matthias; Brusilowskij, Boris; Huuskonen, Juhani; Rissanen, Kari; Kirchner, Barbara; Schalley, Christoph A.
Substituent effects on axle binding in amide pseudorotaxanes: comparison of NMR titration and ITC data with DFT calculations.
Organic & biomolecular chemistry, 2012, 10, 5954-5964
7152469 CIFC107 H119.5 F12 N7.5 O25.5 S4P -116.478; 17.317; 22.065
78.786; 78.864; 65.622
5580Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.
[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.
Organic & biomolecular chemistry, 2012, 10, 6094-6104
7152470 CIFC119 H169 B6 Cd F24 N31 O60P 1 c 120.057; 22.223; 18.474
90; 109.497; 90
7762Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.
[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.
Organic & biomolecular chemistry, 2012, 10, 6094-6104
7152471 CIFC172 H158 F24 N18 O47 Ru2 S8P 1 21/n 118.248; 20.018; 28.528
90; 92.355; 90
10412Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.
[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.
Organic & biomolecular chemistry, 2012, 10, 6094-6104
7152472 CIFC138 H144 F12 N12 O39 S4P 1 21/c 121.417; 25.553; 13.838
90; 103.228; 90
7372.2Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.
[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.
Organic & biomolecular chemistry, 2012, 10, 6094-6104
7152473 CIFC82 H94 B2 F8 N8 O24C 1 2/c 137.627; 12.68; 20.775
90; 123.038; 90
8309Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.
[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.
Organic & biomolecular chemistry, 2012, 10, 6094-6104
7152474 CIFC53 H57 Cl3 O12P -112.554; 13.774; 15.329
80.404; 68.495; 89.969
2426.3Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.
[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.
Organic & biomolecular chemistry, 2012, 10, 6094-6104
7152475 CIFC104 H116 F12 N4 O26 S4C 1 2/c 127.729; 16.8628; 23.505
90; 106.757; 90
10524Mercer, Darren J.; Yacoub, Joe; Zhu, Kelong; Loeb, Stephanie K.; Loeb, Stephen J.
[2]Pseudorotaxanes, [2]rotaxanes and metal-organic rotaxane frameworks containing tetra-substituted dibenzo[24]crown-8 wheels.
Organic & biomolecular chemistry, 2012, 10, 6094-6104
7152476 CIFC15 H22 O3 SP 1 21 16.8058; 8.713; 13.1696
90; 91.746; 90
780.58Ou, Jun; Wong, Wing-Tak; Chiu, Pauline
Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.
Organic & biomolecular chemistry, 2012, 10, 5971-5978
7152477 CIFC22 H22 O3 SP 18.6495; 8.6869; 13.4401
72.062; 89.472; 85.803
958.09Ou, Jun; Wong, Wing-Tak; Chiu, Pauline
Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.
Organic & biomolecular chemistry, 2012, 10, 5971-5978
7152478 CIFC88 H81 Br2 Cu2 Fe2 N3 P4P 21 21 219.3018; 16.8469; 25.9616
90; 90; 90
4068.4Ou, Jun; Wong, Wing-Tak; Chiu, Pauline
Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.
Organic & biomolecular chemistry, 2012, 10, 5971-5978
7152479 CIFC46 H32 O2R 3 c :H36.714; 36.714; 15.1151
90; 90; 120
17644Fort, Eric H.; Scott, Lawrence T.
Facile air-oxidation of large aromatic hydrocarbon bay regions to bay region quinones: predicted oxygen-sensitivity of hydrogen-terminated carbon nanotubes.
Organic & biomolecular chemistry, 2012, 10, 5747-5749
7152480 CIFC37 H52 N2 O9P 1 21/c 117.8976; 11.2875; 18.4543
90; 95.4952; 90
3710.99Thompson, Sam; Hamilton, Andrew D.
Amphiphilic α-helix mimetics based on a benzoylurea scaffold.
Organic & biomolecular chemistry, 2012, 10, 5780-5782
7152481 CIFC26 H25 N7 O4P -18.8237; 12.5753; 24.9768
83.919; 83.43; 69.943
2579.6Shafran, Yuri; Rozin, Yuri; Beryozkina, Tetyana; Zhidovinov, Sergei; Eltsov, Oleg; Subbotina, Julia; Leban, Johann; Novikova, Rashida; Bakulev, Vasiliy
Self condensation of enamines mediated by acetylation. A novel approach to 1-(azol-5-yl)-(1E,3Z)-butadiene-4-N,N-dimethylamines.
Organic & biomolecular chemistry, 2012, 10, 5795-5798
7152482 CIFC18 H15 N3 O2P 21 21 214.9211; 12.5759; 23.0138
90; 90; 90
1424.26Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter
Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.
Organic & biomolecular chemistry, 2012, 10, 5811-5814
7152483 CIFC18 H16 N3 O2P 1 21/n 117.193; 4.8775; 17.519
90; 102.213; 90
1435.9Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter
Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.
Organic & biomolecular chemistry, 2012, 10, 5811-5814
7152484 CIFC11 H9 N3 O2P 21 21 214.9819; 6.5576; 28.039
90; 90; 90
916.01Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter
Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.
Organic & biomolecular chemistry, 2012, 10, 5811-5814
7152485 CIFC28 H29 N5 O10P -111.1962; 13.6978; 20.614
87.116; 76.553; 68.06
2849.7Escribano-Cuesta, Ana; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Sekine, Masaki; Braga, Ataualpa A. C.; Maseras, Feliu; Echavarren, Antonio M.
The role of cyclobutenes in gold(i)-catalysed skeletal rearrangement of 1,6-enynes.
Organic & biomolecular chemistry, 2012, 10, 6105-6111
7152486 CIFC22 H27 N O8P -18.549; 8.811; 14.226
88.044; 87.18; 85.651
1066.7Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke
Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.
Organic & biomolecular chemistry, 2012, 10, 6003-6009
7152487 CIFC22 H27 N O8P 1 21/n 18.5986; 9.3898; 26.681
90; 90.782; 90
2154Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke
Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.
Organic & biomolecular chemistry, 2012, 10, 6003-6009
7152488 CIFC13 H15 N O4P -16.8683; 9.2342; 10.5078
111.922; 90.897; 96.504
613.06Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke
Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.
Organic & biomolecular chemistry, 2012, 10, 6003-6009
7152489 CIFC21 H23 N O8P 1 21/c 110.301; 8.437; 23.76
90; 100.05; 90
2033.3Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke
Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.
Organic & biomolecular chemistry, 2012, 10, 6003-6009
7152490 CIFC22 H25 N O9P -17.3141; 11.871; 12.579
72.852; 83.715; 89.902
1036.8Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke
Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.
Organic & biomolecular chemistry, 2012, 10, 6003-6009
7152491 CIFC21 H23 N O8P 1 21/c 114.467; 9.266; 15.337
90; 96.767; 90
2041.6Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke
Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.
Organic & biomolecular chemistry, 2012, 10, 6003-6009
7152492 CIFC13 H15 N O5P -18.4243; 8.6769; 9.173
108.968; 103.816; 94.519
606.8Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke
Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.
Organic & biomolecular chemistry, 2012, 10, 6003-6009
7152493 CIFC13 H15 N O5P b c a13.062; 12.0982; 16.2166
90; 90; 90
2562.7Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke
Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.
Organic & biomolecular chemistry, 2012, 10, 6003-6009
7152494 CIFC22 H25 N O8P -17.573; 8.394; 18.258
87.48; 83.12; 69.44
1078.9Hashimoto, Yoshimitsu; Takada, Akiomi; Takikawa, Hiroshi; Suzuki, Keisuke
Synthesis of isoxazoles en route to semi-aromatized polyketides: dehydrogenation of benzonitrile oxide-para-quinone acetal cycloadducts.
Organic & biomolecular chemistry, 2012, 10, 6003-6009
7152495 CIFC18 H20 O4P -17.633; 8.046; 14.859
77.08; 88.83; 62.32
784Rueping, Magnus; Merino, Estíbaliz; Bolte, Michael
Efficient proline and prolinol ether mediated 3-component synthesis of 3- and 3,4-substituted chromenone derivatives.
Organic & biomolecular chemistry, 2012, 10, 6201-6210
7152496 CIFC19 H21 Br O4C 1 2 110.7772; 6.5073; 25.4062
90; 90.353; 90
1781.7Rueping, Magnus; Merino, Estíbaliz; Bolte, Michael
Efficient proline and prolinol ether mediated 3-component synthesis of 3- and 3,4-substituted chromenone derivatives.
Organic & biomolecular chemistry, 2012, 10, 6201-6210
7152497 CIFC14 H20 O4P 21 21 218.8972; 12.2375; 12.7413
90; 90; 90
1387.27Gregg, Claire; Perkins, Michael V.
Total synthesis and structural elucidation of ent-micropyrone and (+)-ascosalipyrone.
Organic & biomolecular chemistry, 2012, 10, 6547-6553
7152498 CIFC14 H20 O4P 21 21 218.1642; 12.0184; 14.2772
90; 90; 90
1400.89Gregg, Claire; Perkins, Michael V.
Total synthesis and structural elucidation of ent-micropyrone and (+)-ascosalipyrone.
Organic & biomolecular chemistry, 2012, 10, 6547-6553
7152499 CIFC20 H32 B2 N2C 1 2/c 130.181; 9.9266; 14.6281
90; 118.99; 90
3833.4Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152500 CIFC28 H40 B2 N2P -18.6278; 11.1348; 13.2544
71.123; 89.295; 87.433
1203.64Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664
7152501 CIFC36 H32 B2 N2C 1 2/c 120.0937; 9.9331; 15.1773
90; 112.871; 90
2791.1Son, Jung-Ho; Hoefelmeyer, James D.
1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
Organic & biomolecular chemistry, 2012, 10, 6656-6664

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