# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T12:40:39+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of natural products') AND volume = 69 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1505796","7.477","0.0015","11.075","0.002","33.972","0.007","90","","90","","90","","2813.1","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","14-benzyl-6,11-dihydroxy-5,7,13-trimethyl-12-methylene- 5,6,7,8,10a,11,12,13,13a,14,15,16-dodecahydro-2H- oxacyclododecino[2,3-d]isoindole-2,16-dione","","- C29 H38 N O6 -","- C29 H38 N O6 -","- C116 H152 N4 O24 -","4","1","","Liu, Rui; Gu, Qianqun; Zhu, Weiming; Cui, Chengbin; Fan, Guotao; Fang, Yuchun; Zhu, Tianjiao; Liu, Hongbing","10-Phenyl-[12]-cytochalasins Z7, Z8, and Z9 from the marine-derived fungus Spicaria elegans.","Journal of natural products","2006","69","6","871","875","10.1021/np050201m","","","0.71073","MoKα","","0.0832","0.081","","","0.1092","0.1119","","","","","","1.132","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505797","6.8007","0.0007","11.2573","0.0011","24.747","0.002","90","","90","","90","","1894.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Zhang, Hua; Yang, Sheng-Ping; Fan, Cheng-Qi; Ding, Jian; Yue, Jian-Min","Daphniyunnines A-E, alkaloids from Daphniphyllum yunnanense.","Journal of natural products","2006","69","4","553","557","10.1021/np050490e","","","0.71073","MoKα","","0.064","0.0502","","","0.1012","0.1066","","","","","","0.922","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505798","6.382","0.002","19.008","0.007","20.534","0.008","90","","90","","90","","2491","1.5","93","1","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Br O8 -","- C28 H29 Br O8 -","- C112 H116 Br4 O32 -","4","1","","Tidgewell, Kevin; Harding, Wayne W.; Lozama, Anthony; Cobb, Howard; Shah, Kushal; Kannan, Pavitra; Dersch, Christina M.; Parrish, Damon; Deschamps, Jeffrey R.; Rothman, Richard B.; Prisinzano, Thomas E.","Synthesis of salvinorin A analogues as opioid receptor probes.","Journal of natural products","2006","69","6","914","918","10.1021/np060094b","","","0.71073","MoKα","","0.2137","0.0685","","","0.096","0.1311","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505799","7.913","0.0016","9.484","0.0019","26.271","0.005","90","","90","","90","","1971.6","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl(1S,3S,10S,14S,18S)-20-hydroxy-18- (hydroxymethyl)-14-methyl-12-azahexacyclo [10.6.1.11,4.07,20.010,18.015,19]icosane-3-carboxylate","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C92 H140 N4 O16 -","4","1","","Mu, Shu-Zhen; Wang, Ye; He, Hong-Ping; Yang, Xian-Wen; Wang, Yue-Hu; Di, Ying-Tong; Lu, Yang; Chang, Ying; Hao, Xiao-Jiang","Daphnioldhanins A-C, alkaloids from Daphniphyllum oldhami","Journal of natural products","2006","69","7","1065","1069","10.1021/np060131z","","","0.71073","MoKα","","0.0749","0.0749","","","0.1806","0.1806","","","","","","1.39","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505800","7.3291","0.0002","14.1613","0.0006","15.2631","0.0007","108.199","0.002","101.926","0.002","98.204","0.002","1435.36","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","{5-[(2,4-Dinitro-phenyl)-hydrazono]-2-methyl-cyclopent-1-enyl}-methanol","","- C13 H14 N4 O5 -","- C13 H14 N4 O5 -","- C52 H56 N16 O20 -","4","2","","Chomcheon, Porntep; Sriubolmas, Nongluksna; Wiyakrutta, Suthep; Ngamrojanavanich, Nattaya; Chaichit, Narongsak; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat","Cyclopentenones, scaffolds for organic syntheses produced by the endophytic fungus mitosporic dothideomycete sp. LRUB20.","Journal of natural products","2006","69","9","1351","1353","10.1021/np060148h","","","0.71073","MoKα","","0.2672","0.0831","","","0.2112","0.2951","","","","","","0.911","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505801","6.2085","0.0012","9.7196","0.0019","15.606","0.003","90","","95.4","0.03","90","","937.6","0.3","293","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C40 H56 O6 -","2","1","","Huang, Ho-Cheng; Ahmed, Atallah F.; Su, Jui-Hsin; Chao, Chih-Hua; Wu, Yang-Chang; Chiang, Michael Y.; Sheu, Jyh-Horng","Crassolides A-F, cembranoids with a trans-fused lactone from the soft coral Sarcophyton crassocaule.","Journal of natural products","2006","69","11","1554","1559","10.1021/np060182w","","","0.71073","MoKα","","0.0923","0.0412","","","0.1004","0.1199","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505802","24.2636","0.0009","8.0884","0.0005","9.3582","0.0006","90","","104.802","0.004","90","","1775.63","0.17","183","2","183","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Hölscher, Dirk; Reichert, Matthias; Görls, Hilmar; Ohlenschläger, Oliver; Bringmann, Gerhard; Schneider, Bernd","Monolaterol, the first configurationally assigned phenylphenalenone derivative with a stereogenic center at C-9, from Monochoria elata.","Journal of natural products","2006","69","11","1614","1617","10.1021/np060192x","","","0.71073","MoKα","","0.0765","0.0495","","","0.1003","0.1136","","","","","","1.011","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1505803","6.564","0.0002","15.654","0.0006","16.701","0.0006","94.618","0.0005","92.568","0.0005","100.754","0.0005","1677.32","0.1","100","","","","","","","","","","Local laboratory","4","P 1","P 1","1","","","","- C36 H38 N2 O10 -","- C36 H38 N2 O10 -","- C72 H76 N4 O20 -","2","2","","Quang, Dang Ngoc; Stadler, Marc; Fournier, Jacques; Asakawa, Yoshinori","Carneic acids A and B, chemotaxonomically significant antimicrobial agents from the xylariaceous ascomycete Hypoxylon carneum.","Journal of natural products","2006","69","8","1198","1202","10.1021/np0602057","","","0.71073","MoKα","","0.1049","0.0869","","","0.2313","0.252","","","","","","1.027","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505804","12.911","0.008","7.138","0.005","15.565","0.009","90","","92.7","0.02","90","","1432.9","1.6","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O5 -","- C30 H50 O5 -","- C60 H100 O10 -","2","1","","Grougnet, Raphaël; Magiatis, Prokopios; Mitaku, Sofia; Loizou, Stella; Moutsatsou, Paraskevi; Terzis, Aris; Cabalion, Pierre; Tillequin, François; Michel, Sylvie","seco-Cycloartane triterpenes from Gardenia aubryi.","Journal of natural products","2006","69","12","1711","1714","10.1021/np060273t","","","1.5418","CuKα","","0.0686","0.0534","","","0.1361","0.1513","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505805","9.7649","0.0009","4.8852","0.0003","11.8369","0.0011","90","","99.31","0.003","90","","557.22","0.08","298","","","","","","","","","","Natural Product","3","P 1 21 1","P 2yb","4","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C26 H24 O8 -","2","1","","Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Thinapong, Pongchan; Sophasan, Samaisukh; Santisuk, Thawatchai; Reutrakul, Vichai","Cytotoxic styryl-lactones from the leaves and twigs of Polyalthia crassa.","Journal of natural products","2006","69","12","1728","1733","10.1021/np060323u","","","0.71073","MoKα","","0.0441","0.0375","","","0.0928","0.0986","","","","","","1.076","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505806","6.0723","0.0004","12.0285","0.0006","25.741","0.002","90","","90","","90","","1880.1","0.2","298","","","","","","","","","","natural Product","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","1","","Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Thinapong, Pongchan; Sophasan, Samaisukh; Santisuk, Thawatchai; Reutrakul, Vichai","Cytotoxic styryl-lactones from the leaves and twigs of Polyalthia crassa.","Journal of natural products","2006","69","12","1728","1733","10.1021/np060323u","","","0.71073","MoKα","","0.0763","0.0505","","","0.1055","0.1175","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505807","8.978","0.0013","8.978","0.0013","33.622","0.002","90","","90","","120","","2347","0.5","296","1","296","1","","","","","","","","3","P 32","P 32","145","","","","- C30 H40 O13 -","- C30 H40 O13 -","- C90 H120 O39 -","3","1","","Zhao, Yu; Wang, Fu-Sheng; Peng, Li-Yan; Li, Xiao-Li; Xu, Gang; Luo, Xiao-Xin; Lu, Yang; Wu, Li; Zheng, Qi-Tai; Zhao, Qin-Shi","Taxoids from Taxus chinensis.","Journal of natural products","2006","69","12","1813","1815","10.1021/np060345g","","","0.71073","MoKα","","0.067","0.0626","","","0.214","0.2191","","","","","","1.197","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505808","12.3702","0.0012","8.451","0.0009","19.563","0.002","90","","90","","90","","2045.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Br N O2 -","- C10 H10 Br N O2 -","- C80 H80 Br8 N8 O16 -","8","1","","Suárez-Castillo, Oscar R; Beiza-Granados, Lidia; Meléndez-Rodríguez, Myriam; Alvarez-Hernández, Alejandro; Morales-Ríos, Martha S; Joseph-Nathan, Pedro","Synthesis of bromoindole alkaloids from Laurencia brongniartii.","Journal of natural products","2006","69","11","1596","1600","10.1021/np060406a","","","0.71073","MoKα","","0.0752","0.0291","","","0.0568","0.0647","","","","","","0.843","","","","has coordinates","201954","2020-10-21","18:00:00",""