Crystallography Open Database

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7152858 CIFC75 H107 N7 O6P 1 21/n 18.623; 41.598; 19.413
90; 100.518; 90
6846Caltagirone, Claudia; Bazzicalupi, Carla; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Olivari, Martina; Picci, Giacomo
A new family of bis-ureidic receptors for pyrophosphate optical sensing.
Organic & biomolecular chemistry, 2013, 11, 2445-2451
7152859 CIFC21 H24 N6 OP 1 21/c 110.2116; 19.269; 10.7192
90; 113.424; 90
1935.4Soeta, Takahiro; Tamura, Kaname; Fujinami, Shuhei; Ukaji, Yutaka
A three-component reaction of C,N-cyclic N'-acyl azomethine imines, isocyanides, and azide compounds: effective synthesis of 1,5-disubstituted tetrazoles with tetrahydroisoquinoline skeletons.
Organic & biomolecular chemistry, 2013, 11, 2168-2174
7152860 CIFC14 H11 Br SP 21 21 216.0206; 10.2488; 20.3688
90; 90; 90
1256.83Yang, Zhaozhen; Chen, Xiaoyi; Kong, Wei; Xia, Siyuan; Zheng, Renwei; Luo, Fang; Zhu, Gangguo
An operationally simple approach to (E)-α-halo vinyl sulfides and their applications for accessing stereodefined trisubstituted alkenes.
Organic & biomolecular chemistry, 2013, 11, 2175-2185
7152861 CIFC42 H40 O2P 1 21/c 117.855; 6.2136; 27.618
90; 104.351; 90
2968.4Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko
Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.
Organic & biomolecular chemistry, 2013, 11, 2186-2197
7152862 CIFC44 H42P -111.3212; 11.3699; 25.0897
96.268; 96.618; 90.287
3188.4Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko
Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.
Organic & biomolecular chemistry, 2013, 11, 2186-2197
7152863 CIFC42 H38 O2P -110.1439; 20.8219; 30.084
72.507; 85.489; 89.879
6040Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko
Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.
Organic & biomolecular chemistry, 2013, 11, 2186-2197
7152864 CIFC9 H14 O4P 1 21/c 15.7917; 16.0545; 18.954
90; 90.01; 90
1762.4Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long
Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.
Organic & biomolecular chemistry, 2013, 11, 3393-3399
7152865 CIFC10 H16 O4P 1 21/n 17.3977; 9.1656; 14.8408
90; 99.475; 90
992.54Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long
Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.
Organic & biomolecular chemistry, 2013, 11, 3393-3399
7152866 CIFC11 H18 O4P 1 21/c 115.108; 9.3204; 16.7632
90; 112.403; 90
2182.32Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long
Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.
Organic & biomolecular chemistry, 2013, 11, 3393-3399
7152867 CIFC25 H42 Cl2 O8P 1 21/c 19.0166; 29.3472; 10.9981
90; 108.743; 90
2755.9Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long
Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.
Organic & biomolecular chemistry, 2013, 11, 3393-3399
7152868 CIFC10 H16 O4C 1 c 19.3155; 19.012; 6.3222
90; 118.966; 90
979.63Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long
Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.
Organic & biomolecular chemistry, 2013, 11, 3393-3399
7152869 CIFC16 H22 O5 SP 1 21/n 15.902; 34.899; 7.948
90; 100.671; 90
1608.77Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long
Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.
Organic & biomolecular chemistry, 2013, 11, 3393-3399
7152870 CIFC16 H23 N O4 SP 21 21 219.829; 9.8991; 16.3718
90; 90; 90
1592.95Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long
Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.
Organic & biomolecular chemistry, 2013, 11, 3393-3399
7152871 CIFC18 H27 N O4 SP -19.9411; 14.1752; 14.3185
66.168; 82.006; 90.097
1824.01Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long
Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.
Organic & biomolecular chemistry, 2013, 11, 3393-3399
7152872 CIFC30 H38 N2 O8P 15.7769; 8.856; 14.249
84.286; 79.6; 76.235
695.2Tambara, Koujiro; Pantoş, G Dan
Conversion of aldoximes into nitriles and amides under mild conditions.
Organic & biomolecular chemistry, 2013, 11, 2466-2472
7152873 CIFC17 H24 N4 O2P 21 21 218.53; 12.4076; 15.1863
90; 90; 90
1607.27Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.
Readily accessible chiral at nitrogen cage structures.
Organic & biomolecular chemistry, 2013, 11, 2198-2205
7152874 CIFC23 H28 N4 O2P 1 21/c 115.0424; 11.666; 12.3412
90; 111.569; 90
2014.04Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.
Readily accessible chiral at nitrogen cage structures.
Organic & biomolecular chemistry, 2013, 11, 2198-2205
7152875 CIFC23 H28 N4 O2P 43 21 28.6628; 8.6628; 55.161
90; 90; 90
4139.5Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.
Readily accessible chiral at nitrogen cage structures.
Organic & biomolecular chemistry, 2013, 11, 2198-2205
7152876 CIFC23 H28 N4 O2C 1 2 112.9249; 20.3503; 9.3869
90; 124.73; 90
2029.13Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.
Readily accessible chiral at nitrogen cage structures.
Organic & biomolecular chemistry, 2013, 11, 2198-2205
7152877 CIFC11 H20 N4 O2P 43 21 27.9849; 7.9849; 19.6071
90; 90; 90
1250.12Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.
Readily accessible chiral at nitrogen cage structures.
Organic & biomolecular chemistry, 2013, 11, 2198-2205
7152878 CIFC15 H28 N4 O2C 2 2 218.1565; 12.776; 15.5401
90; 90; 90
1619.4Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.
Readily accessible chiral at nitrogen cage structures.
Organic & biomolecular chemistry, 2013, 11, 2198-2205
7152879 CIFC15 H28 N4 O2P 21 21 2114.0399; 8.1422; 14.4418
90; 90; 90
1650.92Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.
Readily accessible chiral at nitrogen cage structures.
Organic & biomolecular chemistry, 2013, 11, 2198-2205
7152880 CIFC9 H18 N4 O3P 1 21/n 16.6979; 12.3452; 13.8609
90; 103.061; 90
1116.47Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.
Readily accessible chiral at nitrogen cage structures.
Organic & biomolecular chemistry, 2013, 11, 2198-2205
7152881 CIFC30 H25 Au F6 N O7 P S2P 1 21 18.6902; 34.9283; 11.4932
90; 103.15; 90
3397.1Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.
Gold amides as anticancer drugs: synthesis and activity studies.
Organic & biomolecular chemistry, 2013, 11, 3255-3260
7152882 CIFC37 H33 Au F3 N2 O4 P SP 1 21 111.581; 13.095; 13.0305
90; 114.426; 90
1799.25Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.
Gold amides as anticancer drugs: synthesis and activity studies.
Organic & biomolecular chemistry, 2013, 11, 3255-3260
7152883 CIFC72 H72 Au2 F6 N4 O6 P2 S2P 110.5355; 11.8539; 15.7927
94.235; 100.106; 112.49
1772.35Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.
Gold amides as anticancer drugs: synthesis and activity studies.
Organic & biomolecular chemistry, 2013, 11, 3255-3260
7152884 CIFC36 H35 F12 N5 O P2P -110.958; 11.539; 16.667
75.826; 82.501; 65.07
1852Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua
Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.
Organic & biomolecular chemistry, 2013, 11, 3375-3381
7152885 CIFC68 H56 F24 N10 O P4P 1 21/n 19.6585; 25.7091; 14.0835
90; 92.542; 90
3493.7Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua
Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.
Organic & biomolecular chemistry, 2013, 11, 3375-3381
7152886 CIFC17 H15.5 Br N2.5 O1.5P 1 21 114.481; 13.824; 16.878
90; 109.685; 90
3181.3Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua
Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.
Organic & biomolecular chemistry, 2013, 11, 3375-3381
7152887 CIFC4.11 H3.22 Br0.22 N0.56 O0.06P -18.8544; 11.0995; 16.475
91.233; 90.453; 105.781
1557.6Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua
Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.
Organic & biomolecular chemistry, 2013, 11, 3375-3381
7152888 CIFC17 H11 N OP -17.7325; 8.863; 9.8596
82.255; 68.663; 78.619
615.55Chen, Xuxing; He, Qian; Xie, Yuyuan; Yang, Chunhao
Palladium(ii)-catalyzed synthesis of functionalized indenones via oxidation and cyclization of 2-(2-arylethynylphenyl)acetonitriles.
Organic & biomolecular chemistry, 2013, 11, 2582-2585
7152889 CIFC30 H36 O7 S2P 21 21 219.6394; 13.2527; 22.5332
90; 90; 90
2878.57Sreedharan, Dinesh T.; Clive, Derrick L. J.
Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.
Organic & biomolecular chemistry, 2013, 11, 3128-3144
7152890 CIFC19 H21 F O4 SP 1 21/n 15.7115; 15.4417; 19.7977
90; 95.9719; 90
1736.59Sreedharan, Dinesh T.; Clive, Derrick L. J.
Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.
Organic & biomolecular chemistry, 2013, 11, 3128-3144
7152891 CIFC38 H46 F O7.5 S2P 21 21 2112.4942; 13.9308; 40.8485
90; 90; 90
7109.9Sreedharan, Dinesh T.; Clive, Derrick L. J.
Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.
Organic & biomolecular chemistry, 2013, 11, 3128-3144
7152892 CIFC40 H48 F O9 S2P 21 21 218.2366; 12.8102; 37.2684
90; 90; 90
3932.28Sreedharan, Dinesh T.; Clive, Derrick L. J.
Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.
Organic & biomolecular chemistry, 2013, 11, 3128-3144
7152893 CIFC37 H42 F O7.5 S2P 21 21 2112.3385; 13.7101; 41.224
90; 90; 90
6973.54Sreedharan, Dinesh T.; Clive, Derrick L. J.
Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.
Organic & biomolecular chemistry, 2013, 11, 3128-3144
7152894 CIFC37 H38 N2 O3P -19.912; 11.6861; 15.4195
93.93; 104.033; 103.177
1672.6Ding, Yubin; Li, Tong; Li, Xin; Zhu, Weihong; Xie, Yongshu
From nonconjugation to conjugation: novel meso-OH substituted dipyrromethanes as fluorescence turn-on Zn(2+) probes.
Organic & biomolecular chemistry, 2013, 11, 2685-2692
7152895 CIFC38 H44 N6 OP -110.477; 12.939; 13.929
111.981; 99.22; 101.616
1656.4Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan
The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.
Organic & biomolecular chemistry, 2013, 11, 2818-2826
7152896 CIFC38 H43.33 N6 O0.66P -111.774; 13.988; 17.936
97.519; 104.854; 111.281
2577Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan
The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.
Organic & biomolecular chemistry, 2013, 11, 2818-2826
7152897 CIFC38 H38 N6C 1 c 113.937; 19.444; 11.779
90; 100.961; 90
3133.8Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan
The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.
Organic & biomolecular chemistry, 2013, 11, 2818-2826
7152898 CIFC8 H15 N O3P 21 21 216.9174; 9.4363; 14.0634
90; 90; 90
917.98Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.
Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.
Organic & biomolecular chemistry, 2013, 11, 3187-3202
7152899 CIFC25 H37 N O6P 21 21 219.0523; 11.9795; 22.5183
90; 90; 90
2441.93Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.
Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.
Organic & biomolecular chemistry, 2013, 11, 3187-3202
7152900 CIFC10 H15 N O3P 1 21/n 17.677; 14.89; 8.9195
90; 105.14; 90
984.2Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian
A concise approach to the spiroiminal fragment of marineosins.
Organic & biomolecular chemistry, 2013, 11, 2936-2938
7152901 CIFC10 H17 N O3P b c a13.826; 9.5792; 16.063
90; 90; 90
2127.4Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian
A concise approach to the spiroiminal fragment of marineosins.
Organic & biomolecular chemistry, 2013, 11, 2936-2938
7152902 CIFC10 H17 N O3C 1 2/c 125.951; 5.6442; 15.203
90; 113.62; 90
2040.3Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian
A concise approach to the spiroiminal fragment of marineosins.
Organic & biomolecular chemistry, 2013, 11, 2936-2938
7152903 CIFC10 H17 N O3P 1 21/n 111.044; 8.006; 11.73
90; 98.346; 90
1026.2Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian
A concise approach to the spiroiminal fragment of marineosins.
Organic & biomolecular chemistry, 2013, 11, 2936-2938
7152904 CIFC14 H20 N2 O2P b c n15.663; 8.2891; 21.056
90; 90; 90
2733.7Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian
A concise approach to the spiroiminal fragment of marineosins.
Organic & biomolecular chemistry, 2013, 11, 2936-2938
7152905 CIFC22 H22 Cl N O4P 1 21 110.6173; 9.222; 10.9711
90; 115.165; 90
972.25Ray, Sumit K.; Rout, Subhrajit; Singh, Vinod K.
Enantioselective synthesis of 3,4-dihydropyran derivatives via a Michael addition reaction catalysed by chiral pybox-diph-Zn(ii) complex.
Organic & biomolecular chemistry, 2013, 11, 2412-2416
7152906 CIFC22 H22 Br N O4P 1 21 110.1531; 9.1685; 11.3968
90; 110.669; 90
992.63Ray, Sumit K.; Rout, Subhrajit; Singh, Vinod K.
Enantioselective synthesis of 3,4-dihydropyran derivatives via a Michael addition reaction catalysed by chiral pybox-diph-Zn(ii) complex.
Organic & biomolecular chemistry, 2013, 11, 2412-2416
7152907 CIFC23 H35 N3 O6P 1 21/c 121.3378; 11.5579; 10.3203
90; 100.329; 90
2503.9Parker, David; Waldron, Bradley P.
Conformational analysis and synthetic approaches to polydentate perhydro-diazepine ligands for the complexation of gallium(iii).
Organic & biomolecular chemistry, 2013, 11, 2827-2838

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