Crystallography Open Database

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7150575 CIFC16 H24 Br N OC 1 2/c 129.078; 4.8656; 22.535
90; 96.268; 90
3169.2Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul
Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines
Organic & Biomolecular Chemistry, 2009, 7, 986-995
7150576 CIFC15 H21 Br Cl NC 1 2/c 126.387; 6.8937; 19.161
90; 122.455; 90
2941.1Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul
Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines
Organic & Biomolecular Chemistry, 2009, 7, 986-995
7150577 CIFC15 H21 N O2 SP 21 21 216.237; 12.419; 17.923
90; 90; 90
1388.3Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul
Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines
Organic & Biomolecular Chemistry, 2009, 7, 986-995
7150578 CIFC9 H14 O2P -17.3608; 12.176; 15.1409
103.092; 93.82; 100.303
1292.3Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul
Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines
Organic & Biomolecular Chemistry, 2009, 7, 986-995
7150579 CIFC16 H24 Cl N OP 1 21/n 110.3845; 14.8703; 10.5114
90; 107.902; 90
1544.6Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul
Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines
Organic & Biomolecular Chemistry, 2009, 7, 986-995
7150580 CIFC17 H24 Cl NC 1 2 116.115; 10.4898; 10.9685
90; 121.095; 90
1587.7Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul
Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines
Organic & Biomolecular Chemistry, 2009, 7, 986-995
7150581 CIFC65 H89 I N2 O8P 21 21 2111.2099; 15.8759; 35.534
90; 90; 90
6323.9Podoprygorina, Ganna; Bolte, Michael; Böhmer, Volker
Tetra-urea calix[4]arenes 1,3-bridged at the narrow rim
Organic & Biomolecular Chemistry, 2009, 7, 1592-1598
7150582 CIFC56 H65 I N6 O17P 1 21/n 113.2687; 13.5843; 31.5174
90; 94.788; 90
5661.1Podoprygorina, Ganna; Bolte, Michael; Böhmer, Volker
Tetra-urea calix[4]arenes 1,3-bridged at the narrow rim
Organic & Biomolecular Chemistry, 2009, 7, 1592-1598
7150583 CIFC100.25 H94.25 Cl9.75 N7 ZnC 1 2/c 142.923; 18.262; 29.806
90; 129.106; 90
18130Sooambar, Chloè; Troiani, Vincent; Bruno, Carlo; Marcaccio, Massimo; Paolucci, Francesco; Listorti, Andrea; Belbakra, Abdelhalim; Armaroli, Nicola; Magistrato, Alessandra; De Zorzi, Rita; Geremia, Silvano; Bonifazi, Davide
Synthesis, photophysical, electrochemical, and electrochemiluminescent properties of 5,15-bis(9-anthracenyl)porphyrin derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2402-2413
7150584 CIFC81 H78 Cl10 N4 ZnP -19.0583; 15.2181; 15.4705
114.522; 106.688; 91.036
1835.34Sooambar, Chloè; Troiani, Vincent; Bruno, Carlo; Marcaccio, Massimo; Paolucci, Francesco; Listorti, Andrea; Belbakra, Abdelhalim; Armaroli, Nicola; Magistrato, Alessandra; De Zorzi, Rita; Geremia, Silvano; Bonifazi, Davide
Synthesis, photophysical, electrochemical, and electrochemiluminescent properties of 5,15-bis(9-anthracenyl)porphyrin derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2402-2413
7150585 CIFC9 H13 I N2 OP 1 21/c 18.584; 12.9688; 10.3119
90; 100.852; 90
1127.43Plater, M. John; Barnes, Paul; McDonald, Lauren K.; Wallace, Sandy; Archer, Nia; Gelbrich, Thomas; Horton, Peter N.; Hursthouse, Michael B.
Hidden signatures: new reagents for developing latent fingerprints
Organic & Biomolecular Chemistry, 2009, 7, 1633-1641
7150586 CIFC12 H14 I N O2P 1 21/n 17.9338; 14.4447; 11.0343
90; 103.597; 90
1229.1Plater, M. John; Barnes, Paul; McDonald, Lauren K.; Wallace, Sandy; Archer, Nia; Gelbrich, Thomas; Horton, Peter N.; Hursthouse, Michael B.
Hidden signatures: new reagents for developing latent fingerprints
Organic & Biomolecular Chemistry, 2009, 7, 1633-1641
7150587 CIFC19 H18 N2 O2P 1 21/c 18.2775; 15.616; 12.3892
90; 98.896; 90
1582.2Ko, Young Ok; Chun, Yu Sung; Park, Cho-Long; Kim, Youngmee; Shin, Hyunik; Ahn, Sungho; Hong, Jongki; Lee, Sang-gi
An effective and general method for the highly regioselective synthesis of 1-phenylpyrazoles from β-enaminoketoesters, tandem Blaise‒acylation adducts
Organic & Biomolecular Chemistry, 2009, 7, 1132-1136
7150588 CIFC19 H18 N2 O2P 1 21/n 110.468; 15.676; 10.469
90; 103.79; 90
1668Ko, Young Ok; Chun, Yu Sung; Park, Cho-Long; Kim, Youngmee; Shin, Hyunik; Ahn, Sungho; Hong, Jongki; Lee, Sang-gi
An effective and general method for the highly regioselective synthesis of 1-phenylpyrazoles from β-enaminoketoesters, tandem Blaise‒acylation adducts
Organic & Biomolecular Chemistry, 2009, 7, 1132-1136
7150589 CIFC25 H19 F3 N2 O2P 1 21/c 112.182; 19.321; 9.0766
90; 98.535; 90
2112.7Ko, Young Ok; Chun, Yu Sung; Park, Cho-Long; Kim, Youngmee; Shin, Hyunik; Ahn, Sungho; Hong, Jongki; Lee, Sang-gi
An effective and general method for the highly regioselective synthesis of 1-phenylpyrazoles from β-enaminoketoesters, tandem Blaise‒acylation adducts
Organic & Biomolecular Chemistry, 2009, 7, 1132-1136
7150590 CIFC25 H19 F3 N2 O2P -19.801; 9.982; 12.377
78.875; 88.801; 64.005
1065.1Ko, Young Ok; Chun, Yu Sung; Park, Cho-Long; Kim, Youngmee; Shin, Hyunik; Ahn, Sungho; Hong, Jongki; Lee, Sang-gi
An effective and general method for the highly regioselective synthesis of 1-phenylpyrazoles from β-enaminoketoesters, tandem Blaise‒acylation adducts
Organic & Biomolecular Chemistry, 2009, 7, 1132-1136
7150591 CIFC38 H32 N4 O2P -110.2157; 11.9363; 12.9452
66.5184; 89.148; 86.525
1445.05Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures
Organic & Biomolecular Chemistry, 2009, 7, 2347-2352
7150592 CIFC45 H46 N4 O3P 1 21/c 121.4622; 7.4031; 23.7326
90; 94.2256; 90
3760.55Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures
Organic & Biomolecular Chemistry, 2009, 7, 2347-2352
7150593 CIFC34 H32 Cl2 N4 O2P 1 21/c 112.7522; 22.9038; 10.1324
90; 106.799; 90
2833.11Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures
Organic & Biomolecular Chemistry, 2009, 7, 2347-2352
7150594 CIFC39 H42 Cl4 N4 O2P b c a20.2497; 14.7082; 24.943
90; 90; 90
7428.94Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures
Organic & Biomolecular Chemistry, 2009, 7, 2347-2352
7150595 CIFC32 H28 N4 O2C 1 2/c 123.0441; 12.4981; 17.4616
90; 98.296; 90
4976.4Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures
Organic & Biomolecular Chemistry, 2009, 7, 2347-2352
7150596 CIFC36 H36 N4 O2P 1 21/c 18.5899; 27.0079; 12.9677
90; 104.886; 90
2907.5Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures
Organic & Biomolecular Chemistry, 2009, 7, 2347-2352
7150597 CIFC18 H16 N2 S2P -17.595; 10.1858; 10.5743
105.965; 105.306; 95.0213
747.2Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150598 CIFC19 H17.5 N2.5F d d d :213.9453; 25.7283; 31.5668
90; 90; 90
11325.8Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150599 CIFC28 H20 N2C 1 2/c 121.7712; 9.9895; 9.2316
90; 104.664; 90
1942.32Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150600 CIFC24.5 H28 N4 O2.5P 1 2/c 115.718; 13.3493; 23.9219
90; 92.478; 90
5014.7Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150601 CIFC30 H22 Cl6 N2 O2C 1 2/c 114.6105; 18.4987; 11.5185
90; 110.07; 90
2924.12Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150602 CIFC26.25 H16.5 Cl0.5 N2 O2P 1 n 17.4781; 22.6399; 23.883
90; 97.0449; 90
4012.95Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150603 CIFC24 H20 N6P 1 21/n 111.4681; 8.0005; 20.8185
90; 94.4706; 90
1904.3Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150604 CIFC28 H18 Cl2 N2P -19.5615; 9.9958; 12.942
85.6212; 72.6708; 62.3017
1042.65Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150605 CIFC16 H12 N2 S2P 1 21/m 15.2259; 18.397; 7.1402
90; 109.441; 90
647.33Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150606 CIFC24 H14 N4P b c n21.423; 10.0153; 7.9227
90; 90; 90
1699.88Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150607 CIFC24 H16 N2 S2C 1 2/c 18.871; 10.0494; 21.2597
90; 102.122; 90
1853Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150608 CIFC22 H12 N2 S2P b c n21.4777; 10.0334; 7.525
90; 90; 90
1621.6Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150609 CIFC16 H12 N2C 1 2/c 115.6806; 10.8157; 15.0851
90; 118.174; 90
2255.3Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150610 CIFC26 H16 N2C 1 2/c 122.5128; 9.9474; 7.9414
90; 103.717; 90
1727.7Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150611 CIFC20 H16 N2 O4C 2 2 218.3958; 9.9699; 19.6247
90; 90; 90
1642.69Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150612 CIFC18 H12 N2 O4P 1 21 19.9472; 13.2994; 11.5775
90; 114.658; 90
1391.95Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150613 CIFC12 H6 Br2P 1 21/c 17.8327; 19.1058; 6.8699
90; 105.77; 90
989.39Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150614 CIFC24 H16 N2 O2P 1 21/c 18.3569; 9.9526; 21.8278
90; 100.864; 90
1782.94Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives
Organic & Biomolecular Chemistry, 2009, 7, 2082-2092
7150615 CIFC20 H23 N3P 1 21/c 110.0678; 15.9325; 11.7652
90; 111.406; 90
1757.02Jarowski, Peter D.; Wu, Yi-Lin; Boudon, Corinne; Gisselbrecht, Jean-Paul; Gross, Maurice; Schweizer, W. Bernd; Diederich, François
New donor‒acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives
Organic & Biomolecular Chemistry, 2009, 7, 1312-1322
7150616 CIFC20 H16 Br N3P 1 21/c 19.4778; 7.942; 24.0757
90; 93.4125; 90
1809.03Jarowski, Peter D.; Wu, Yi-Lin; Boudon, Corinne; Gisselbrecht, Jean-Paul; Gross, Maurice; Schweizer, W. Bernd; Diederich, François
New donor‒acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives
Organic & Biomolecular Chemistry, 2009, 7, 1312-1322
7150617 CIFC21 H19 N3 OP -17.8176; 15.0473; 16.0532
104.702; 90.581; 104.638
1761.71Jarowski, Peter D.; Wu, Yi-Lin; Boudon, Corinne; Gisselbrecht, Jean-Paul; Gross, Maurice; Schweizer, W. Bernd; Diederich, François
New donor‒acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives
Organic & Biomolecular Chemistry, 2009, 7, 1312-1322
7150618 CIFC15 H16 N2 O4P -110.739; 11.1934; 12.1609
93.177; 97.768; 109.836
1354.4Reyes-Gutiérrez, Paul E.; Torres-Ochoa, Rubén O.; Martínez, Roberto; Miranda, Luis D.
Synthesis of azepino[4,5-b]indolones via an intermolecular radical oxidative substitution of N-Boc tryptamine
Organic & Biomolecular Chemistry, 2009, 7, 1388-1396
7150619 CIFC18 H18 N2 O4P 1 21/c 19.7516; 17.835; 8.8391
90; 90.635; 90
1537.2Reyes-Gutiérrez, Paul E.; Torres-Ochoa, Rubén O.; Martínez, Roberto; Miranda, Luis D.
Synthesis of azepino[4,5-b]indolones via an intermolecular radical oxidative substitution of N-Boc tryptamine
Organic & Biomolecular Chemistry, 2009, 7, 1388-1396
7150620 CIFC38 H45 N3 O11P 1 21 18.3976; 22.631; 10.234
90; 102.952; 90
1895.4Ribes, Celia; Falomir, Eva; Murga, Juan; Carda, Miguel; Alberto Marco, J.
Convergent, stereoselective syntheses of the glycosidase inhibitors broussonetines D and M
Organic & Biomolecular Chemistry, 2009, 7, 1355-1360
7150621 CIFC30 H36.5 Cl N3 O0.25 PdP -113.5773; 13.5923; 15.9863
87.224; 71.872; 84.466
2790.2Peh, Guang-Rong; Kantchev, Eric Assen B.; Zhang, Chi; Ying, Jackie Y.
N-heterocycle carbene (NHC)-ligated cyclopalladated N,N-dimethylbenzylamine: a highly active, practical and versatile catalyst for the Heck‒Mizoroki reaction
Organic & Biomolecular Chemistry, 2009, 7, 2110-2119
7150622 CIFC25 H20 N2 O7P n a 2127.786; 4.5194; 17.0553
90; 90; 90
2141.7Prabhakaran, Panchami; Puranik, Vedavati G.; Chandran, Jima N.; Rajamohanan, P. R.; Hofmann, Hans-Jörg; Sanjayan, Gangadhar J.
Sterically controlled naphthalene homo-oligoamides with novel structural architectures
Organic & Biomolecular Chemistry, 2009, 7, 2458-2465
7150623 CIFC26 H23 Cl3 N2 O5P -110.1275; 10.7976; 11.7307
96.883; 94.267; 90.92
1269.6Prabhakaran, Panchami; Puranik, Vedavati G.; Chandran, Jima N.; Rajamohanan, P. R.; Hofmann, Hans-Jörg; Sanjayan, Gangadhar J.
Sterically controlled naphthalene homo-oligoamides with novel structural architectures
Organic & Biomolecular Chemistry, 2009, 7, 2458-2465
7150624 CIFC16 H19 Br O5P 21 21 219.648; 9.9528; 17.941
90; 90; 90
1722.8Yang, Jin; Wang, Ting; Ding, Zhenhua; Shen, Zongxuan; Zhang, Yawen
Highly diastereo- and enantioselective organocatalytic addition of acetone to β-substituted α-ketoesters via dynamic kinetic resolution
Organic & Biomolecular Chemistry, 2009, 7, 2208-2213

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