# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-30T23:23:47+02:00
# 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 'ACS chemical neuroscience') 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
"4512949","6.8275","0.0004","21.568","0.0013","11.9397","0.0007","90","","101.777","0.0017","90","","1721.17","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20.88 I N5 O1.44 -","- C15 H20 I N5 O1.437 -","- C60 H80 I4 N20 O5.748 -","4","1","","Damijonaitis, Arunas; Broichhagen, Johannes; Urushima, Tatsuya; Hüll, Katharina; Nagpal, Jatin; Laprell, Laura; Schönberger, Matthias; Woodmansee, David H.; Rafiq, Amir; Sumser, Martin P.; Kummer, Wolfgang; Gottschalk, Alexander; Trauner, Dirk","AzoCholine Enables Optical Control of Alpha 7 Nicotinic Acetylcholine Receptors in Neural Networks.","ACS chemical neuroscience","2015","6","5","701","707","10.1021/acschemneuro.5b00030","","","0.71073","MoKα","","0.0302","0.0232","","","0.0507","0.0534","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512950","5.9981","0.0004","7.7485","0.0005","19.4519","0.0013","90","","93.6786","0.0018","90","","902.19","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H22 I N3 O -","- C17 H22 I N3 O -","- C34 H44 I2 N6 O2 -","2","1","","Damijonaitis, Arunas; Broichhagen, Johannes; Urushima, Tatsuya; Hüll, Katharina; Nagpal, Jatin; Laprell, Laura; Schönberger, Matthias; Woodmansee, David H.; Rafiq, Amir; Sumser, Martin P.; Kummer, Wolfgang; Gottschalk, Alexander; Trauner, Dirk","AzoCholine Enables Optical Control of Alpha 7 Nicotinic Acetylcholine Receptors in Neural Networks.","ACS chemical neuroscience","2015","6","5","701","707","10.1021/acschemneuro.5b00030","","","0.71073","MoKα","","0.0621","0.0424","","","0.0941","0.1026","","","","","","1.087","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512951","8.6169","0.0005","21.6556","0.0011","9.0042","0.0005","90","","114.328","0.0015","90","","1531.02","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 I6 N4 -","- C20 H30 I6 N4 -","- C40 H60 I12 N8 -","2","0.5","","Damijonaitis, Arunas; Broichhagen, Johannes; Urushima, Tatsuya; Hüll, Katharina; Nagpal, Jatin; Laprell, Laura; Schönberger, Matthias; Woodmansee, David H.; Rafiq, Amir; Sumser, Martin P.; Kummer, Wolfgang; Gottschalk, Alexander; Trauner, Dirk","AzoCholine Enables Optical Control of Alpha 7 Nicotinic Acetylcholine Receptors in Neural Networks.","ACS chemical neuroscience","2015","6","5","701","707","10.1021/acschemneuro.5b00030","","","0.71073","MoKα","","0.0397","0.0281","","","0.0655","0.0699","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4514018","9.2408","0.0014","12.5092","0.0016","23.734","0.003","90","","90","","90","","2743.5","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 F N2 O5 S -","- C27 H37 F N2 O5 S -","- C108 H148 F4 N8 O20 S4 -","4","1","","Nadon, Jean-François; Rochon, Kristina; Grastilleur, Sébastien; Langlois, Guillaume; Dao, Thi Thanh Hà; Blais, Véronique; Guérin, Brigitte; Gendron, Louis; Dory, Yves L.","Synthesis of Gly-ψ[(Z)CF═CH]-Phe, a Fluoroalkene Dipeptide Isostere, and Its Incorporation into a Leu-enkephalin Peptidomimetic.","ACS chemical neuroscience","2017","8","1","40","49","10.1021/acschemneuro.6b00163","","","1.54178","CuKα","","0.0467","0.0416","","","0.0931","0.098","","","","","","1.178","","","","has coordinates","191233","2020-10-21","18:00:00",""
"4515829","9.2036","0.0002","22.0461","0.0005","11.8589","0.0003","90","","90.067","0.001","90","","2406.21","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 N4 O3 -","- C28 H28 N4 O3 -","- C112 H112 N16 O12 -","4","2","","Lewin, Anita H.; Brieaddy, Larry; Deschamps, Jeffrey R.; Imler, Gregory H.; Mascarella, S. Wayne; Reddy, P. Anantha; Carroll, F. Ivy","Synthesis and Characterization of the Selective, Reversible PKCβ Inhibitor (9 S)-9-[(Dimethylamino)methyl]-6,7,10,11-tetrahydro-9 H,18 H-5,21:12,17-dimethenodibenzo[ e,k]pyrrolo[3,4- h][1,4,13]oxadiazacyclohexadecine-18,20(19 H)-dione, Ruboxistaurin (LY333531).","ACS chemical neuroscience","2019","10","1","246","251","10.1021/acschemneuro.8b00196","","","1.54178","CuKα","","0.1017","0.0917","","","0.2143","0.2226","","","","","","1.082","","","","has coordinates","225929","2020-10-21","18:00:00",""
"4517186","13.3839","0.0005","19.2766","0.0009","8.6173","0.0003","90","","126.48","0.002","90","","1787.62","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Samanta, Sourav; Govindaraju, Thimmaiah","Unambiguous Detection of Elevated Levels of Hypochlorous Acid in Double Transgenic AD Mouse Brain.","ACS chemical neuroscience","2019","10","12","4847","4853","10.1021/acschemneuro.9b00554","","","0.71073","MoKα","","0.079","0.0641","","","0.1718","0.1875","","","","","","1.04","","","","has coordinates","246534","2020-10-21","18:00:00",""
"4519344","6.5842","0.0009","11.023","0.0014","8.603","0.0012","90","","101.266","0.004","90","","612.35","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Cl N O2 -","- C13 H16 Cl N O2 -","- C26 H32 Cl2 N2 O4 -","2","1","","Highland, Jaclyn N.; Morris, Patrick J.; Konrath, Kylie M.; Riggs, Lace M.; Hagen, Natalie R.; Zanos, Panos; Powels, Chris F.; Moaddel, Ruin; Thomas, Craig J.; Wang, Amy Q.; Gould, Todd D.","Hydroxynorketamine Pharmacokinetics and Antidepressant Behavioral Effects of (2,6)- and (5R)-Methyl-(2R,6R)-hydroxynorketamines.","ACS chemical neuroscience","2022","13","4","510","523","10.1021/acschemneuro.1c00761","","x-ray","0.71073","MoKα","","0.0298","0.027","","","0.0617","0.0638","","","","","","1.033","","","","has coordinates","273251","2022-03-03","20:31:43",""