Crystallography Open Database

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1508891 CIFC18 H26 N2 OP 21 21 216.385; 8.7697; 27.5194
90; 90; 90		1540.94Huang, Sheng-Dian; Zhang, Yu; Cao, Ming-Ming; Di, Ying-Tong; Tang, Gui-Hua; Peng, Zong-Gen; Jiang, Jian-Dong; He, Hong-Ping; Hao, Xiao-Jiang
Myriberine A, a New Alkaloid with an Unprecedented Heteropentacyclic Skeleton from Myrioneuron faberi.
Organic letters, 2013, 15, 590-593
1508892 CIFC25 H42 OP 21 21 216.214; 15.5633; 45.916
90; 90; 90		4440.6Chiba, Ryota; Minami, Atsushi; Gomi, Katsuya; Oikawa, Hideaki
Identification of Ophiobolin F Synthase by a Genome Mining Approach: A Sesterterpene Synthase from Aspergillus clavatus.
Organic letters, 2013, 15, 594-597
1508893 CIFC98 H156 F24 N22 Na4 O27 P4R 3 :H16.382; 16.382; 39.89
90; 90; 120		9271Izzo, Irene; Ianniello, Graziella; De Cola, Chiara; Nardone, Brunello; Erra, Loredana; Vaughan, Gavin; Tedesco, Consiglia; De Riccardis, Francesco
Structural effects of proline substitution and metal binding on hexameric cyclic peptoids.
Organic letters, 2013, 15, 598-601
1508894 CIFC30 H54 N6 O12P -18.3584; 9.1756; 11.6234
99.636; 101.488; 104.239		824.5Izzo, Irene; Ianniello, Graziella; De Cola, Chiara; Nardone, Brunello; Erra, Loredana; Vaughan, Gavin; Tedesco, Consiglia; De Riccardis, Francesco
Structural effects of proline substitution and metal binding on hexameric cyclic peptoids.
Organic letters, 2013, 15, 598-601
1508895 CIFC57 H49 Cl7 Fe N6 O6P -112.29; 14.996; 16.269
98.514; 106.348; 99.374		2778.6Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing
Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.
Organic letters, 2013, 15, 606-609
1508896 CIFC56 H48 Cl Fe N6 O6P 1 21/c 114.527; 30.638; 12.3382
90; 97.26; 90		5447.4Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing
Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.
Organic letters, 2013, 15, 606-609
1508897 CIFC57 H50 Cl Fe N6 O6P -115.923; 16.738; 22.371
91.302; 93.701; 90.604		5947.9Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing
Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.
Organic letters, 2013, 15, 606-609
1508898 CIFC58 H52 Cl Fe N6 O6P -115.749; 15.991; 16.15
61.74; 63.39; 62.81		3044.2Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing
Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.
Organic letters, 2013, 15, 606-609
1508899 CIFC59 H54 Cl Fe N6 O6P -114.0827; 16.3185; 16.6591
62.671; 75; 71.377		3194.3Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing
Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.
Organic letters, 2013, 15, 606-609
1508900 CIFC60 H56 Cl Fe N6 O6P -115.2; 16.065; 16.305
115.096; 116.65; 94.005		3051.7Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing
Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.
Organic letters, 2013, 15, 606-609
1508901 CIFC15 H14 N2 O2P 1 21/c 113.2153; 7.6831; 12.8817
90; 107.622; 90		1246.6Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin
Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction.
Organic letters, 2013, 15, 642-645
1508902 CIFC12 H10 N4 OP b c a7.5741; 13.7438; 21.7946
90; 90; 90		2268.75Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin
Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction.
Organic letters, 2013, 15, 642-645
1508903 CIFC16 H15 Br N2 O2P 1 21/c 115.8197; 12.6493; 7.2819
90; 95.363; 90		1450.79Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin
Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction.
Organic letters, 2013, 15, 642-645
1508904 CIFC32 H31 N O7P 4310.3793; 10.3793; 25.352
90; 90; 90		2731.17Kim, U. Bin; Furkert, Daniel P.; Brimble, Margaret A.
Total synthesis of chaetoquadrins a-C.
Organic letters, 2013, 15, 658-661
1508905 CIFC16 H20 N2 Se Si2P 1 21/n 110.8314; 15.999; 12.6094
90; 115.323; 90		1975.1Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.
From thia- to selenadiazoles: changing interaction priority.
Organic letters, 2013, 15, 666-669
1508906 CIFC26 H34 N2 Se Si2P 1 21/n 110.4163; 17.0453; 15.4541
90; 106.965; 90		2624.5Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.
From thia- to selenadiazoles: changing interaction priority.
Organic letters, 2013, 15, 666-669
1508907 CIFC28 H44 N2 Se Si2P 1 21/n 114.751; 14.938; 15.035
90; 105.604; 90		3190.9Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.
From thia- to selenadiazoles: changing interaction priority.
Organic letters, 2013, 15, 666-669
1508908 CIFC32 H46 N2 Se Si2P 1 21/n 114.8139; 15.1816; 30.2664
90; 93.844; 90		6791.6Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.
From thia- to selenadiazoles: changing interaction priority.
Organic letters, 2013, 15, 666-669
1508909 CIFC36 H48 N2 Se Si2P -18.1957; 13.139; 17.152
78.547; 81.601; 80.832		1774.5Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.
From thia- to selenadiazoles: changing interaction priority.
Organic letters, 2013, 15, 666-669
1508910 CIFC34 H46 N4 Se Si2P -19.0805; 12.4223; 16.7125
71.73; 83.493; 81.475		1765.88Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.
From thia- to selenadiazoles: changing interaction priority.
Organic letters, 2013, 15, 666-669
1508911 CIFC36 H48 N2 S Si2P -18.2003; 13.1453; 17.1892
78.043; 81.532; 80.552		1775.8Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.
From thia- to selenadiazoles: changing interaction priority.
Organic letters, 2013, 15, 666-669
1508912 CIFC22 H17 N3 O6P 1 21/n 110.9383; 9.6552; 19.32
90; 104.308; 90		1977.1Shu, Wen-Ming; Yang, Yan; Zhang, Dong-Xue; Wu, Liu-Ming; Zhu, Yan-Ping; Yin, Guo-Dong; Wu, An-Xin
Highly Efficient Synthesis of 3a,6a-Dihydrofuro[2,3-b]furans via a Novel Bicyclization.
Organic letters, 2013, 15, 456-459
1508913 CIFC22 H17 Br N2 O4P 1 21/n 110.877; 9.556; 19.596
90; 106.11; 90		1956.8Shu, Wen-Ming; Yang, Yan; Zhang, Dong-Xue; Wu, Liu-Ming; Zhu, Yan-Ping; Yin, Guo-Dong; Wu, An-Xin
Highly Efficient Synthesis of 3a,6a-Dihydrofuro[2,3-b]furans via a Novel Bicyclization.
Organic letters, 2013, 15, 456-459
1508914 CIFC22 H16 N2 O4P 1 21/n 110.8804; 5.4346; 31.653
90; 91.258; 90		1871.2Shu, Wen-Ming; Yang, Yan; Zhang, Dong-Xue; Wu, Liu-Ming; Zhu, Yan-Ping; Yin, Guo-Dong; Wu, An-Xin
Highly Efficient Synthesis of 3a,6a-Dihydrofuro[2,3-b]furans via a Novel Bicyclization.
Organic letters, 2013, 15, 456-459
1508915 CIFC38 H44 N2 O8 SP 110.54; 13.2962; 13.7619
71.577; 89.697; 69.957		1707.4Rajapaksa, Naomi S.; McGowan, Meredeth A.; Rienzo, Matthew; Jacobsen, Eric N.
Enantioselective total synthesis of (+)-reserpine.
Organic letters, 2013, 15, 706-709
1508925 CIFC22 H30 O6 SP 21 21 218.4382; 10.6416; 23.583
90; 90; 90		2117.7Saha, Mrinmoy; Carter, Rich G.
Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine.
Organic letters, 2013, 15, 736-739
1508926 CIFC19 H24 O5 SP 21 21 218.0743; 10.233; 20.798
90; 90; 90		1718.4Saha, Mrinmoy; Carter, Rich G.
Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine.
Organic letters, 2013, 15, 736-739
1508927 CIFC19 H26 O6 SP 21 21 218.0553; 10.1921; 21.862
90; 90; 90		1794.9Saha, Mrinmoy; Carter, Rich G.
Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine.
Organic letters, 2013, 15, 736-739
1508928 CIFC32 H28 N4 O8P 1 21/c 17.0625; 10.8486; 18.2963
90; 94.908; 90		1396.69Bhattacharya, Suman; Stojaković, Jelena; Saha, Binoy K.; Macgillivray, Leonard R.
A product of a templated solid-state photodimerization acts as a template: single-crystal reactivity in a single polymorph of a cocrystal.
Organic letters, 2013, 15, 744-747
1508929 CIFC32 H28 N4 O8P -17.3377; 11.3673; 18.0101
74.38; 90.072; 70.386		1355.82Bhattacharya, Suman; Stojaković, Jelena; Saha, Binoy K.; Macgillivray, Leonard R.
A product of a templated solid-state photodimerization acts as a template: single-crystal reactivity in a single polymorph of a cocrystal.
Organic letters, 2013, 15, 744-747
1508930 CIFC32 H28 N4 O8P -19.131; 11.006; 15.272
99.5; 98.7; 110.13		1384.9Bhattacharya, Suman; Stojaković, Jelena; Saha, Binoy K.; Macgillivray, Leonard R.
A product of a templated solid-state photodimerization acts as a template: single-crystal reactivity in a single polymorph of a cocrystal.
Organic letters, 2013, 15, 744-747
1508931 CIFC21 H13 Cl4 N2 O3C 1 2 126.5331; 8.0048; 9.7571
90; 97.575; 90		2054.25Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C.
Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp.
Organic letters, 2013, 15, 988-991
1508932 CIFC22 H14 Cl4 N2 O5P 17.649; 11.8911; 12.6157
105.779; 98.658; 92.067		1088.06Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C.
Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp.
Organic letters, 2013, 15, 988-991
1508933 CIFC9 H12 N2 O4P 1 21/c 17.7215; 7.90305; 16.5104
90; 101.898; 90		985.87Orimoto, Kohei; Oyama, Harufumi; Namera, Yuki; Niwa, Takashi; Nakada, Masahisa
Catalytic Asymmetric [4 + 2] Cycloadditions and Hosomi-Sakurai Reactions of α-Alkylidene β-Keto Imides.
Organic letters, 2013, 15, 768-771
1508934 CIFC18 H15 N O2P 1 21/c 116.6508; 12.0775; 14.6164
90; 109.539; 90		2770.1Liu, Xu; Zhang, Qian; Zhang, Dingyuan; Xin, Xiaoqing; Zhang, Rui; Zhou, Fenguo; Dong, Dewen
PPA-Mediated C-C Bond Formation: A Synthetic Route to Substituted Indeno[2,1-c]quinolin-6(7H)-ones.
Organic letters, 2013, 15, 776-779
1508935 CIFC28 H34 O10 SP 1 21 15.3516; 19.434; 13.261
90; 95.518; 90		1372.8Chooi, Yit-Heng; Fang, Jinxu; Liu, Hong; Filler, Scott G.; Wang, Pin; Tang, Yi
Genome Mining of a Prenylated and Immunosuppressive Polyketide from Pathogenic Fungi.
Organic letters, 2013, 15, 780-783
1508936 CIFC32 H34 O7P 21 21 2111.84571; 13.0433; 17.6965
90; 90; 90		2734.24Liu, Ming-Li; Duan, Ying-Hui; Hou, Yun-Long; Li, Chang; Gao, Hao; Dai, Yi; Yao, Xin-Sheng
Nardoaristolones A and B, Two Terpenoids with Unusual Skeletons from Nardostachys chinensis Batal.
Organic letters, 2013, 15, 1000-1003
1508937 CIFC14 H18 O2P 21 21 218.06899; 9.64395; 15.6052
90; 90; 90		1214.35Liu, Ming-Li; Duan, Ying-Hui; Hou, Yun-Long; Li, Chang; Gao, Hao; Dai, Yi; Yao, Xin-Sheng
Nardoaristolones A and B, Two Terpenoids with Unusual Skeletons from Nardostachys chinensis Batal.
Organic letters, 2013, 15, 1000-1003
1508938 CIFC20 H23 O3 PP 21 21 218.10822; 13.8133; 15.9269
90; 90; 90		1783.83Sawada, Takashi; Nakada, Masahisa
Enantioselective Total Synthesis of (+)-Colletoic Acid via Catalytic Asymmetric Intramolecular Cyclopropanation of an α-Diazo-β-keto Diphenylphosphine Oxide.
Organic letters, 2013, 15, 1004-1007
1508939 CIFC17 H36 N2 O2 S SiP 21 21 2110.963; 11.569; 17.41
90; 90; 90		2208.1Cornwall, Richard G.; Zhao, Baoguo; Shi, Yian
Catalytic asymmetric synthesis of cyclic sulfamides from conjugated dienes.
Organic letters, 2013, 15, 796-799
1508940 CIFC19 H12 Br2 O2P -17.0896; 9.732; 11.0373
99.588; 91.694; 96.224		745.58Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus
Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.
Organic letters, 2013, 15, 804-807
1508941 CIFC20 H12 N2 O2P -17.0844; 10.1531; 10.6861
105.788; 98.355; 96.968		721.27Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus
Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.
Organic letters, 2013, 15, 804-807
1508942 CIFC21 H12 N2 O2P m c n6.8305; 11.0589; 19.8828
90; 90; 90		1501.9Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus
Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.
Organic letters, 2013, 15, 804-807
1508943 CIFC10 H9 O2C 1 2/c 115.5468; 10.7779; 10.234
90; 114.524; 90		1560.1Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus
Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.
Organic letters, 2013, 15, 804-807
1508944 CIFC22 H18 O4P 1 21/a 111.3553; 7.1744; 11.5613
90; 119.414; 90		820.46Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus
Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.
Organic letters, 2013, 15, 804-807
1508945 CIFC28 H22 N4P 1 21/n 19.0368; 9.2187; 13.518
90; 97.088; 90		1117.55Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus
Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.
Organic letters, 2013, 15, 804-807
1508946 CIFC37 H25 N3 OP 1 21/c 117.131; 10.7442; 14.687
90; 93.702; 90		2697.6Ghosh, Avijit; Chatterjee, Tamal; Lee, Way-Zen; Ravikanth, Mangalampalli
Unusual formation of 21-oxacorrole from 21-oxaporphyrin induced by phosphoryl chloride.
Organic letters, 2013, 15, 1040-1043
1508947 CIFC19 H16 Cl N O3P 1 21/c 110.25; 10.486; 16.7877
90; 114.815; 90		1637.77Wei, Ying; Lin, Shaoxia; Liang, Fushun; Zhang, Jingping
N-Bromosuccinimide/1,8-Diazabicyclo[5.4.1]undec-7-ene Combination: β-Amination of Chalcones via a Tandem Bromoamination/Debromination Sequence.
Organic letters, 2013, 15, 852-855
1508948 CIFC19 H19 N OP 1 21/c 18.8897; 17.783; 10.6532
90; 112.329; 90		1557.8Nakai, Kenichiro; Kurahashi, Takuya; Matsubara, Seijiro
Synthesis of Quinolones by Nickel-Catalyzed Cycloaddition via Elimination of Nitrile.
Organic letters, 2013, 15, 856-859
1508949 CIFC20 H21 N OP 1 21/n 110.1765; 16.6581; 10.2059
90; 114.481; 90		1574.6Nakai, Kenichiro; Kurahashi, Takuya; Matsubara, Seijiro
Synthesis of Quinolones by Nickel-Catalyzed Cycloaddition via Elimination of Nitrile.
Organic letters, 2013, 15, 856-859

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