Crystallography Open Database

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7150009 CIFC13 H12 O4P 1 21/c 118.985; 3.9181; 14.504
90; 103.443; 90
1049.3Pittelkow, Michael; Boas, Ulrik; Jessing, Mikkel; Jensen, Knud J.; Christensen, Jørn B
Role of the peri-effect in synthesis and reactivity of highly substituted naphthaldehydes: a novel backbone amide linker for solid-phase synthesis.
Organic & biomolecular chemistry, 2005, 3, 508-514
7150010 CIFC13 H23 N OP 1 21/c 19.766; 9.337; 13.7672
90; 102.381; 90
1226.2Rejzek, Martin; Stockman, Robert A.; Hughes, David L.
Combining two-directional synthesis and tandem reactions: an efficient strategy for the total syntheses of (+/-)-hippodamine and (+/-)-epi-hippodamine.
Organic & biomolecular chemistry, 2005, 3, 73-83
7150011 CIFC13 H23 N OP 1 21/n 17.66; 14.61; 10.367
90; 91.13; 90
1160Rejzek, Martin; Stockman, Robert A.; Hughes, David L.
Combining two-directional synthesis and tandem reactions: an efficient strategy for the total syntheses of (+/-)-hippodamine and (+/-)-epi-hippodamine.
Organic & biomolecular chemistry, 2005, 3, 73-83
7150012 CIFC149 H116 N4 ZnP -110.263; 16.066; 16.779
82.544; 85.022; 80.666
2700.8Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
Organic & biomolecular chemistry, 2005, 3, 448-453
7150013 CIFC162 H107 Br9 N4P 42/n :222.627; 22.627; 12.7634
90; 90; 90
6534.6Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
Organic & biomolecular chemistry, 2005, 3, 448-453
7150014 CIFC168 H110 Cl10 N4 ZnP 42/n :222.4739; 22.4739; 12.8564
90; 90; 90
6493.5Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
Organic & biomolecular chemistry, 2005, 3, 448-453
7150015 CIFC180 H134 N4I 41/a :219.39; 19.39; 36.077
90; 90; 90
13563.9Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
Organic & biomolecular chemistry, 2005, 3, 448-453
7150016 CIFC180 H134 N4I 41/a :219.3904; 19.3904; 36.077
90; 90; 90
13564.5Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
Organic & biomolecular chemistry, 2005, 3, 448-453
7150017 CIFC168 H134 Cl8 N4 O4I 41/a :219.72; 19.72; 35.239
90; 90; 90
13703.7Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
Organic & biomolecular chemistry, 2005, 3, 448-453
7150018 CIFC180 H132 N4 ZnI 41/a :219.612; 19.612; 36.445
90; 90; 90
14018Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
Organic & biomolecular chemistry, 2005, 3, 448-453
7150019 CIFC180 H132 N4 NiI 41/a :219.2176; 19.2176; 36.142
90; 90; 90
13347.8Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
Organic & biomolecular chemistry, 2005, 3, 448-453
7150020 CIFC168 H132 Cl8 N4 Ni O4I 41/a :219.6502; 19.6502; 35.387
90; 90; 90
13664Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
Organic & biomolecular chemistry, 2005, 3, 448-453
7150021 CIFC180 H132 N4 NiI 41/a :219.2176; 19.2176; 36.142
90; 90; 90
13347.8Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
Organic & biomolecular chemistry, 2005, 3, 448-453
7150022 CIFC127 H88 Cl14 N4P -116.2354; 18.758; 19.2789
78.364; 63.381; 88.391
5128Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
Organic & biomolecular chemistry, 2005, 3, 448-453
7150023 CIFC7 H6 N4 O6P 1 21/c 18.0407; 11.7673; 11.2852
90; 108.476; 90
1012.74Katritzky, Alan R.; Scriven, Eric F. V.; Majumder, Suman; Akhmedova, Rena G.; Vakulenko, Anatoliy V.; Akhmedov, Novruz G.; Murugan, Ramiah; Abboud, Khalil A.
Preparation of nitropyridines by nitration of pyridines with nitric acid.
Organic & biomolecular chemistry, 2005, 3, 538-541
7150024 CIFC64 H64 N4 O12C 1 2/c 116.7651; 29.395; 24.507
90; 95.993; 90
12011.3Danila, Crenguta; Bolte, Michael; Böhmer, Volker
1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.
Organic & biomolecular chemistry, 2005, 3, 172-184
7150025 CIFC64 H64 N4 O12P -114.1953; 14.6587; 15.3671
111.121; 92.666; 99.425
2923.2Danila, Crenguta; Bolte, Michael; Böhmer, Volker
1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.
Organic & biomolecular chemistry, 2005, 3, 172-184
7150026 CIFC67 H70 Cl2 N4 O12P -113.4904; 14.1373; 17.7409
83.459; 69.464; 76.454
3078.5Danila, Crenguta; Bolte, Michael; Böhmer, Volker
1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.
Organic & biomolecular chemistry, 2005, 3, 172-184
7150027 CIFC48 H58 N2 O8P -110.3423; 13.161; 16.5605
101.868; 96.988; 91.968
2185.5Danila, Crenguta; Bolte, Michael; Böhmer, Volker
1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.
Organic & biomolecular chemistry, 2005, 3, 172-184
7150028 CIFC14 H17 N O3P 21 21 215.5369; 8.5297; 27.769
90; 90; 90
1311.5Cobb, Alexander J. A.; Shaw, David M.; Longbottom, Deborah A.; Gold, Johan B.; Ley, Steven V.
Organocatalysis with proline derivatives: improved catalysts for the asymmetric Mannich, nitro-Michael and aldol reactions.
Organic & biomolecular chemistry, 2005, 3, 84-96
7150029 CIFC27 H20 O SP 21 21 216.4273; 15.6636; 18.992
90; 90; 90
1912.01ter Wiel, Matthijs K. J.; Vicario, Javier; Davey, Stephen G.; Meetsma, Auke; Feringa, Ben L.
New procedure for the preparation of highly sterically hindered alkenes using a hypervalent iodine reagent.
Organic & biomolecular chemistry, 2005, 3, 28-30
7150030 CIFC11 H14 O2 SP 1 21/n 110.5744; 9.1217; 11.7111
90; 115.825; 90
1016.8Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia
Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.
Organic & biomolecular chemistry, 2005, 3, 404-406
7150031 CIFC11 H14 O2 SP 1 21 17.5387; 6; 11.4544
90; 91.308; 90
517.97Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia
Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.
Organic & biomolecular chemistry, 2005, 3, 404-406
7150032 CIFC12 H19 N O2 SI 41/a :220.9699; 20.9699; 11.2756
90; 90; 90
4958.3Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia
Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.
Organic & biomolecular chemistry, 2005, 3, 404-406
7150033 CIFC8 H12 N2 O5P -17.4377; 8.3035; 9.2515
73.265; 67.994; 71.219
492.34Hibbs, David E.; Overgaard, Jacob; Howard, Siân T; Nguyen, Thanh Ha
Experimental charge density of a potential DHO synthetase inhibitor: dimethyl-trans-2-oxohexahydro-pyrimidine-4,6-dicarboxylate.
Organic & biomolecular chemistry, 2005, 3, 441-447
7150034 CIFC12 H13 I O2P 21 21 216.6491; 6.8227; 25.8973
90; 90; 90
1174.83Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian
Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.
Organic & biomolecular chemistry, 2005, 3, 809-815
7150035 CIFC21 H25 N OP 21 21 214.9818; 9.4157; 37.792
90; 90; 90
1772.7Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian
Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.
Organic & biomolecular chemistry, 2005, 3, 809-815
7150036 CIFC19 H30 N O8 P SP 1 21 17.997; 12.221; 11.812
90; 100.647; 90
1134.5Kjaersgaard, Anne; Jørgensen, Karl Anker
Catalytic asymmetric addition of beta-keto phosphonates to an activated imine‒formation of optically active functionalized phosphonate alpha-amino acid derivatives.
Organic & biomolecular chemistry, 2005, 3, 804-808
7150037 CIFC24 H21 O3P -18.3773; 9.1657; 12.7261
94.81; 96.374; 108.948
910.99Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150038 CIFC24 H21 O3P -18.3762; 9.1588; 12.7193
94.893; 96.401; 108.872
909.89Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150039 CIFC23 H19 O3P -18.3719; 9.1093; 12.6935
97.482; 103.946; 109.425
862.3Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150040 CIFC23 H19 O3P -18.3763; 9.0965; 12.6943
97.485; 104.164; 109.388
860.68Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150041 CIFC23 H19 O3P -18.3757; 9.1004; 12.6928
97.541; 104.053; 109.405
861.14Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150042 CIFC24 H21 O3P -18.3654; 9.0652; 12.873
96.696; 94.048; 109.717
906.38Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150043 CIFC24 H21 O3P -18.4902; 9.1923; 12.9946
95.62; 94.84; 109.66
942.97Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150044 CIFC48 H42 O6P -18.415; 18.2852; 12.7741
95.637; 94.919; 109.717
1826.48Jacobs, Ayesha; Nassimbeni, Luigi R.; Su, Hong; Taljaard, Benjamin
Xanthenol clathrates: structure, thermal stability, guest exchange and kinetics of desolvation.
Organic & biomolecular chemistry, 2005, 3, 1319-1322
7150045 CIFC35 H36 N2 O4P 1 21 110.197; 16.139; 10.043
90; 114.16; 90
1508Kawabata, Takeo; Majumdar, Swapan; Tsubaki, Kazunori; Monguchi, Daiki
Memory of chirality in intramolecular conjugate addition of enolates: a novel access to nitrogen heterocycles with contiguous quaternary and tertiary stereocenters.
Organic & biomolecular chemistry, 2005, 3, 1609-1611
7150046 CIFC18 H12 N2P 1 21/n 18.964; 6.265; 11.241
90; 107.109; 90
603.4Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150047 CIFC16 H10 N4P 1 21/n 18.557; 6.33; 11.841
90; 106.689; 90
614.4Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150048 CIFC16 H10 N4P 1 21/n 15.779; 5.35; 18.906
90; 91.466; 90
584.3Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150049 CIFC16 H10 N4C 1 2 122.523; 3.912; 6.979
90; 106.14; 90
590.7Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150050 CIFC14 H8 N2 O2P 1 21/n 14.627; 16.48; 7.004
90; 94.34; 90
532.54Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150051 CIFC14 H8 N2 S2P 1 21/c 18.993; 5.988; 11.445
90; 110.87; 90
575.88Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150052 CIFC12 H8 N6P 21 21 217.277; 7.639; 19.94
90; 90; 90
1108.4Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7150053 CIFC29 H50 O11P 1 21 113.3374; 7.6406; 15.5158
90; 98.311; 90
1564.5Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori
Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.
Organic & biomolecular chemistry, 2005, 3, 1227-1232
7150054 CIFC32 H56 O11P 1 21 113.6542; 7.7755; 15.7636
90; 100.215; 90
1647.1Okuzumi, Keiko; Hara, Noriyuki; Uekusa, Hidehiro; Fujimoto, Yoshinori
Structure elucidation of cyasterone stereoisomers isolated from Cyathula officinalis.
Organic & biomolecular chemistry, 2005, 3, 1227-1232
7150055 CIFC23 H19 N3 O2 SP c a 2122.845; 11.858; 7.188
90; 90; 90
1947.2Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.
A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.
Organic & biomolecular chemistry, 2005, 3, 932-940
7150056 CIFC21 H20 N4 O2P -17.086; 10.791; 12.85
104.16; 105.87; 95.86
901.2Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.
A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.
Organic & biomolecular chemistry, 2005, 3, 932-940
7150057 CIFC35 H34 N4 O2P -18.944; 12.945; 13.918
64.13; 73.04; 81
1386.1Bogza, Sergei L.; Kobrakov, Konstantin I.; Malienko, Anna A.; Perepichka, Igor F.; Sujkov, Sergei Yu; Bryce, Martin R.; Lyubchik, Svetlana B.; Batsanov, Andrei S.; Bogdan, Natalya M.
A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways.
Organic & biomolecular chemistry, 2005, 3, 932-940
7150058 CIFC40 H36 O2P 21 21 2110.113; 10.206; 29.277
90; 90; 90
3021.8Huang, Jin-Wen; Shi, Min
Carbolithiation of gem-aryl disubstituted methylenecyclopropanes.
Organic & biomolecular chemistry, 2005, 3, 399-400

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