Crystallography Open Database

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1502817 CIFC32.55 H51.96 O4P 6520.2775; 20.2775; 11.8524
90; 90; 120		4220.5Maldonado, Emma; Díaz-Arumir, Humberto; Toscano, R. Alfredo; Martínez, Mahinda
Lupane triterpenes with a δ-lactone at ring E, from Lippia mexicana.
Journal of natural products, 2010, 73, 1969-1972
1504463 CIFC15 H20 O4P 6514.058; 14.058; 15.624
90; 90; 120		2674.1He, Lan; Hou, Jing; Gan, Maoluo; Shi, Jiangong; Chantrapromma, Suchada; Fun, Hoong-Kun; Williams, Ian D.; Sung, Herman H.-Y.
Cadinane sesquiterpenes from the leaves of Eupatorium adenophorum.
Journal of natural products, 2008, 71, 1485-1488
1506258 CIFC38 H50 O14P 6523.446; 23.446; 14.036
90; 90; 120		6682Yin, Sheng; Fan, Cheng-Qi; Wang, Xiao-Ning; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min
Xylogranatins A-D: novel tetranortriterpenoids with an unusual 9,10-seco scaffold from marine mangrove Xylocarpus granatum.
Organic letters, 2006, 8, 4935-4938
1506320 CIFC40 H43 N3 O4P 6523.721; 23.721; 12.93
90; 90; 120		6300.8Crisma, Marco; Toniolo, Claudio; Royo, Soledad; Jiménez, Ana I; Cativiela, Carlos
A helical, aromatic, peptide nanotube.
Organic letters, 2006, 8, 6091-6094
1507335 CIFC19.17 H17 N O3P 6519.154; 19.154; 8.393
90; 90; 120		2666.7Ellison, Martha E.; Ng, Danny; Dang, Hung; Garcia-Garibay, Miguel A
Enantiospecific synthesis of vicinal stereogenic tertiary and quaternary centers by combination of configurationally-trapped radical pairs in crystalline solids.
Organic letters, 2003, 5, 2531-2534
1507506 CIFC21 H26 N2 O2P 6510.0689; 10.0689; 30.962
90; 90; 120		2718.5Myers, Andrew G.; Barbay, Joseph K.
On the Inherent Instability of α-Amino α‘-Fluoro Ketones. Evidence for Their Transformation to Reactive Oxyvinyliminium Ion Intermediates
Organic Letters, 2001, 3, 425
1513514 CIFC27 H39 N3 O9 S3P 6516.4549; 16.4549; 21.286
90; 90; 120		4991.3Jana, Poulami; Paikar, Arpita; Bera, Santu; Maity, Suman Kumar; Haldar, Debasish
Porous organic material from discotic tricarboxyamide: side chain-core interactions.
Organic letters, 2014, 16, 38-41
1513606 CIFC126 H84 La3 N3 O21P 6534.2658; 34.2658; 21.8681
90; 90; 120		22236.3Duan, Jingui; Higuchi, Masakazu; Krishna, Rajamani; Kiyonaga, Tomokazu; Tsutsumi, Yosuke; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu
High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy
Chemical Science, 2014, 5, 660
1515605 CIFC12 H36 B3 N3P 6519.5895; 19.5895; 31.1522
90; 90; 120		10353Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.
Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity
Chemical Science, 2011, 2, 1554
1515754 CIFC38 H55 N5 O8P 6510.9741; 10.9741; 59.527
90; 90; 120		6208.4Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Haldar, Debasish
Mesoporous vesicles from supramolecular helical peptide as drug carrier
Soft Matter, 2011, 7, 10174
1517138 CIFC58 H48 N4 O4 TiP 6525.6435; 25.6435; 14.3257
90; 90; 120		8158.3Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi
Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands
Inorganica Chimica Acta, 2013, 402, 140-155
1517848 CIFC27 H31 N2 O5P 6538.5889; 38.5889; 6.4839
90; 90; 120		8361.6Ma, Yunxia; Zhang, Gen; Zhang, Jinlong; Yang, Dongxu; Wang, Rui
Organocatalyzed Asymmetric Oxidative Coupling of α-Csp(3)-H of Tertiary Amines to α,β-Unsaturated γ-Butyrolactam: Synthesis of MBH-Type Products.
Organic letters, 2014, 16, 5358-5361
1519686 CIFC43 H59 Cl3 N4 O7P 6525.987; 25.987; 12.7789
90; 90; 120		7473.7Lim, Kuan-Hon; Raja, Vijay J.; Bradshaw, Tracey D.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
Ibogan, tacaman, and cytotoxic bisindole alkaloids from tabernaemontana. Cononusine, an iboga alkaloid with unusual incorporation of a pyrrolidone moiety.
Journal of natural products, 2015, 78, 1129-1138
1530237 CIFBa H2 N2 O5P 657.0749; 7.0749; 17.8909
90; 90; 120		775.539Kvick, A.; Abrahams, S.C.; Liminga, R.
Neutron diffraction structural study of pyroelectric Ba (N O2)2 H2 O at 298, 102, and 20 K
Journal of Chemical Physics, 1982, 76, 5508-5514
1534351 CIFC16 H30 N2 O5 SP 6511.4458; 11.4458; 27.7551
90; 90; 120		3148.95Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro
A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water.
Soft matter, 2015, 12, 238-245
1534397 CIFC30 H25 Cl3 N2 S2P 6513.8888; 13.8888; 25.754
90; 90; 120		4302.3Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke
2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior
Chem. Sci., 2016, 7, 451
1534555 CIFB Co1.25 H7 N0.5 O10.5 P2P 659.4914; 9.4914; 15.5825
90; 90; 120		1215.7Schaefer, G.; Carrillo-Cabrera, W.; Schnelle, W.; Borrmann, H.; Kniep, R.
Synthesis and crystal structure of ((N H4)x Co3/2-x/2) (H2 O)2 (B P2 O8) * (1-x)(H2 O) (x = 0.5)
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 289-294
1540580 CIFC34 H30 O2P 6526.2091; 26.2091; 6.7076
90; 90; 120		3990.3Kumar, Ravindra; Tokura, Hiromu; Nishimura, Akira; Mori, Tadashi; Hoshimoto, Yoichi; Ohashi, Masato; Ogoshi, Sensuke
Nickel(0)/N-Heterocyclic Carbene-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Two Enones and an Alkyne: Access to Cyclohexenes with Four Contiguous Stereogenic Centers.
Organic letters, 2015, 17, 6018-6021
1543721 CIFC19 H20 O9P 6510.936; 10.936; 25.7965
90; 90; 120		2671.83Lai, Daowan; Wang, Ali; Cao, Yuheng; Zhou, Kaiyi; Mao, Ziling; Dong, Xuejiao; Tian, Jin; Xu, Dan; Dai, Jungui; Peng, Yu; Zhou, Ligang; Liu, Yang
Bioactive Dibenzo-α-pyrone Derivatives from the Endophytic FungusRhizopycnis vagumNitaf22
Journal of Natural Products, 2016
1544649 CIFC19 H35 N3 O7P 6519.7793; 19.7793; 11.2095
90; 90; 120		3797.9Paikar, Arpita; Pramanik, Apurba; Das, Tanmay; Haldar, Debasish
A self-assembled peptide mimetic of a tubular host and a supramolecular polymer
Polym. Chem., 2017, 8, 396
1546098 CIFC20 H30 O9P 6518.6492; 18.6492; 12.5645
90; 90; 120		3784.4Zhou, Lei; Tuo, Yali; Hao, Yi; Guo, Xiaoman; Tang, Wei; Xue, Yongbo; Zeng, Junfen; Zhou, Yu; Xiang, Ming; Zuo, Jianping; Yao, Guangmin; Zhang, Yonghui
Cinnamomols A and B, Immunostimulative Diterpenoids with a New Carbon Skeleton from the Leaves of Cinnamomum cassia.
Organic letters, 2017, 19, 3029-3032
1546317 CIFC26 H34 Cl N O5 SP 6529.348; 29.348; 5.4131
90; 90; 120		4037.7Al-Saffar, Firas M; Brown, Richard C. D.
A Two-Directional Synthesis of (+)-β-Isosparteine.
Organic letters, 2017, 19, 3502-3504
1546799 CIFC16 H21 N O3P 6512.9639; 12.9639; 14.8451
90; 90; 120		2160.65Zhang, Zhi-Jun; Nian, Yin; Zhu, Qin-Feng; Li, Xiao-Nian; Su, Jia; Wu, Xing-De; Yang, Jian; Zhao, Qin-Shi
Lycoplanine A, a C16N Lycopodium Alkaloid with a 6/9/5 Tricyclic Skeleton from Lycopodium complanatum.
Organic letters, 2017, 19, 4668-4671
1546956 CIFC24 H36 O3P 6510.1208; 10.1208; 37.134
90; 90; 120		3294.06Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao
Anti-inflammatory Meroterpenoids from Baeckea frutescens.
Journal of natural products, 2017, 80, 2204-2214
1547006 CIFC24 H18 Cl F5 N6 OP 6517.34103; 17.34103; 15.00551
90; 90; 120		3907.79Whitehead, Alan; Zhang, Yong; McCabe Dunn, Jamie; Sherer, Edward C.; Lam, Yu-Hong; Stelmach, John; Sun, Aaron; Shiroda, Melisa; Orr, Robert K.; Waddell, Sherman T.; Raghavan, Subharekha
Selective Formation of Functionalized α-Quaternary Malononitriles toward 5,5-Disubstituted Pyrrolopyrimidinones.
Organic letters, 2017, 19, 4448-4451
1547604 CIFC9 H7 F2 N O4P 6515.9119; 15.9119; 20.3939
90; 90; 120		4471.7Peng, Shan-Qing; Zhang, Xiao-Wei; Zhang, Long; Hu, Xiang-Guo
Esterification of Carboxylic Acids with Difluoromethyl Diazomethane and Interrupted Esterification with Trifluoromethyl Diazomethane: A Fluorine Effect.
Organic letters, 2017, 19, 5689-5692
1547860 CIFC30.16 H25.33 Cl0.33 N O2P 6526.4511; 26.4511; 11.7055
90; 90; 120		7092.64Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang
Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.
Organic letters, 2017, 19, 6112-6115
1549804 CIF
HKL
Paper		C18 H18 Cl N3 OP 659.9013; 9.9013; 28.981
90; 90; 120		2460.5Lee, Ji Hye; Koh, Dongsoo
2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride
IUCrData, 2018, 3, x181152
1550337 CIFC31 H38 Cl2 O5 P SP 6522.6855; 22.6855; 10.7563
90; 90; 120		4793.9Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao
Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers
Polymer Chemistry, 2019, 10, 546
1551356 CIFC36 H30 Cl2 F12 Mn N4P 659.2109; 9.2109; 76.327
90; 90; 120		5608.1Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White
Chemoselective methylene oxidation in aromatic molecules
Nature Chemistry, 2019, 11, 213-221
1553313 CIFC14 H20 O4P 6515.7712; 15.7712; 10.4612
90; 90; 120		2253.42Li, Tian-Xiao; Liu, Rui-Huan; Wang, Xiao-Bing; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi; Yang, Ming-Hua
Hypoxia-Protective Azaphilone Adducts from Peyronellaea glomerata.
Journal of natural products, 2018, 81, 1148-1153
1554275 CIFC70 H84 O24P 6514.7018; 14.7018; 53.2893
90; 90; 120		9974.97Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun
Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity
Organic Chemistry Frontiers, 2018, 5, 1079
1554744 CIFC30 H43 N O7P 6517.407; 17.407; 17.977
90; 90; 120		4717.3Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei
Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate
Organic Chemistry Frontiers, 2019, 6, 868
1555176 CIFC18 H26 O6P 6520.3875; 20.3875; 7.4174
90; 90; 120		2669.99Li, Hong-Tao; Tang, Linhuan; Liu, Tao; Yang, Ruining; Yang, Yabin; Zhou, Hao; Ding, Zhong-Tao
Polyoxygenated meroterpenoids and a bioactive illudalane derivative from a co-culture of Armillaria sp. and Epicoccum sp.
Organic Chemistry Frontiers, 2019, 6, 3847
1555367 CIFC18 H23 N O7P 6510.2093; 10.2093; 30.4222
90; 90; 120		2746.08N V G, Moorthy; Dyapa, Rajendar; Pansare, Sunil V.
Formal Synthesis of (+)-Lasubine II and (-)-Subcosine II via Organocatalytic Michael Addition of a Ketone to an α-Nitrostyrene.
Organic letters, 2015, 17, 5312-5315
1555919 CIFC15 H12 N2 OP 656.1726; 6.1726; 54.71
90; 90; 120		1805.2Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong
AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines.
Organic letters, 2016, 18, 5928-5931
1555920 CIFC15 H12 N2 OP 656.1726; 6.1726; 54.71
90; 90; 120		1805.2Yuan, Bingxiang; Zhang, Fuming; Li, Zhuomei; Yang, Shenghua; Yan, Rulong
AgNO<sub>2</sub> as the NO Source for the Synthesis of Substituted Pyrazole N-Oxides from N-Propargylamines.
Organic letters, 2016, 18, 5928-5931
1556162 CIFC24 H22 O6P 6519.1393; 19.1393; 10.2697
90; 90; 120		3257.92Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F
Asymmetric construction of spirocyclopentenebenzofuranone core structures via highly selective phosphine-catalyzed [3 + 2] cycloaddition reactions.
Organic letters, 2013, 15, 2958-2961
1558399 CIFF I2 O6 YP 656.8455; 6.8455; 21.807
90; 90; 120		885Peng, Guang; Yang, Yi; Yan, Tao; Zhao, Dan; Li, Bing-Xuan; Zhang, Ge; Lin, Zheshuai; Ye, Ning
Helix-constructed Polar Rare-earth Iodate Fluoride as Laser Nonlinear Optical Multifunctional Materials
Chemical Science, 2020
1564160 CIFC64 H52 Cl2 Mo2 N2 O9 P2P 6512.2043; 12.2043; 76.2069
90; 90; 120		9829.9Mahmoudi, Hamed; Bagherzadeh, Mojtaba; Ataie, Saeed; Kia, Reza; Heydar Moravej, Seyed; Zare, Maryam; Raithby, Paul R.; Ferlin, Francesco; Vaccaro, Luigi
Synthesis and X-ray crystal structure of a Molybdenum(VI) Schiff base complex: Design of a new catalytic system for sustainable olefin epoxidation
Inorganica Chimica Acta, 2020, 511, 119775
1564322 CIFC54.26 H54 Ca0.75 N14 O39.41 S3P 6517.90824; 17.90824; 46.5216
90; 90; 120		12920.8Dengler, Sebastian; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Huc, Ivan
Conformational interplay in hybrid peptide‒helical aromatic foldamer macrocycles
Chemical Science, 2021
1564370 CIFC29 H65 N3 O13 P3 TbP 6517.0143; 17.0143; 23.529
90; 90; 120		5898.8Weng, Guo-Guo; Hong, Ben-Kun; Bao, Song-Song; Wen, Yujie; Wu, Lan-Qing; Huang, Xin-Da; Jia, Jia-Ge; Wen, Ge-Hua; Li, Shuhua; Peng, Luming; Zheng, Li-Min
From helix to superhelix: hierarchical assembly of homochiral van der Waals 1D coordination polymers
Chemical Science, 2021
1569428 CIFC35 H31 N3 O4 SP 6521.8313; 21.8313; 11.5605
90; 90; 120		4771.6Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei
Rhodium-catalyzed atroposelective access to trisubstituted olefins <i>via</i> C-H bond olefination of diverse arenes.
Chemical science, 2023, 14, 7999-8005
2003474 CIF
Paper		C38 H42 N4 O6 SiP 6515.273; 15.273; 27.399
90; 90; 120		5535Barnes, J. C.; Field, R. A.
Benzyl 2-Acetamido-4-azido-3-<i>O</i>-benzoyl-6-<i>O</i>-(<i>tert</i>-butyldiphenylsilyl)-2,4-dideoxy-β-<small>D</small>-glucopyranoside
Acta Crystallographica Section C, 1995, 51, 1018-1020
2005812 CIF
Paper		C12 H20 O4P 657.755; 7.755; 35.137
90; 90; 120		1830.03Kiyotani, T.; Masuda, K.; Ageta, H.; Chakravarty, A. K.; Das, B.
Glycoric Acid, a New Degraded Carotenoid from <i>Glycosmis arborea</i>
Acta Crystallographica Section C, 1996, 52, 3216-3217
2007640 CIF
Paper		C10.48 H17.2 O2.12P 6516.9681; 16.9681; 6.5473
90; 90; 120		1632.5Lutz, Martin; Spek, Anthony L.
(2<i>S</i>,3<i>R</i>,5<i>S</i>)-3-Hydroxy-2-methyl-5-(1-methylethenyl)cyclohexanone 0.12-Diethyl Ether Solvate
Acta Crystallographica Section C, 1998, 54, 1293-1295
2010341 CIF
Paper		C18 H12 O2 S2P 659.936; 9.936; 52.27
90; 90; 120		4469Kopf, Jürgen; Maelger, Harald; Thiemann, Carolin; Margaretha, Paul
(6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-Tetrahydrocyclobuta[1,2-<i>c</i>:4,3-<i>c</i>']di[1]benzothiopyran-6,7-dione
Acta Crystallographica Section C, 1994, 50, 1922-1924
2010996 CIF
HKL
Paper		C8 H21 N3 Ni O10 SP 658.7242; 8.7242; 37.102
90; 90; 120		2445.6Marcus, Sebastian T.; Gahan, Lawrence R.; Bernhardt, Paul V.
The Ni^II^, Hg^II^ and Cu^II^ complexes of 12-membered-ring mixed-donor macrocycles
Acta Crystallographica Section C, 2000, 56, 655-658
2014724 CIF
HKL
Paper		C23 H34 O5P 6522.885; 22.885; 7.9582
90; 90; 120		3609.5Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Fernandes Roleira, F.M.; Tavares da Silva, E.J.
17-Oxo-5α-androstane-3α,4β-diyl diacetate and 17-oxo-5β-androstane-3α,4β-diyl diacetate
Acta Crystallographica Section C, 2005, 61, o131-o133
2017833 CIF
HKL
Paper		C29 H18 F3 N3P 6523.0675; 23.0675; 21.716
90; 90; 120		10007.2Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna
1,3,4-Triphenyl-7-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline at 293 and 100K
Acta Crystallographica Section C, 2010, 66, o488-o492
2017834 CIF
HKL
Paper		C29 H18 F3 N3P 6523.2368; 23.2368; 22.1155
90; 90; 120		10341.4Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna
1,3,4-Triphenyl-7-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline at 293 and 100K
Acta Crystallographica Section C, 2010, 66, o488-o492
2021263 CIF
HKL
Paper		C36 H25 Eu N6 O14P 6515.1172; 15.1172; 28.034
90; 90; 120		5548.3Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
Acta Crystallographica Section C, 2018, 74
2021265 CIF
HKL
Paper		C36 H25 Gd N6 O14P 6514.9855; 14.9855; 27.949
90; 90; 120		5435.5Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
Acta Crystallographica Section C, 2018, 74
2021267 CIF
HKL
Paper		C36 H25 Dy N6 O14P 6514.905; 14.905; 27.912
90; 90; 120		5370Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
Acta Crystallographica Section C, 2018, 74
2021269 CIF
HKL
Paper		C36 H25 N6 O14 TbP 6514.9349; 14.9349; 27.969
90; 90; 120		5402.7Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru
Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand
Acta Crystallographica Section C, 2018, 74
2021618 CIF
HKL
Paper		C15 H28 O13P 657.8682; 7.8682; 52.555
90; 90; 120		2817.7Zhang, Wenhui; Wu, Qingquan; Oliver, Allen G.; Serianni, Anthony S.
Conformational analysis of the disaccharide methyl α-D-mannopyranosyl-(1→3)-2-O-acetyl-β-D-mannopyranoside monohydrate
Acta Crystallographica Section C Structural Chemistry, 2019, 75
2101407 CIF
Paper		C60.5 H86 N10 O17 S2P 6522.196; 22.196; 24.64
90; 90; 120		10513Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J.
Structures of quinoxaline antibiotics
Acta Crystallographica Section B, 1995, 51, 987-999
2101517 CIF
Paper		Co Na O4 PP 6510.166; 10.166; 23.881
90; 90; 120		2137.4Hammond, R.; Barbier, J.
Structural chemistry of NaCoPO~4~
Acta Crystallographica Section B, 1996, 52, 440-449
2202181 CIF
HKL
Paper		C23 H32 O9P 659.8368; 9.8368; 42.455
90; 90; 120		3557.7Xue-Song Huang; Ren-Wang Jiang; Vincent Eng-Choon Ooi
Trilobolide-6-<i>O</i>-isobutyrate, a eudesmanolide from <i>Wedelia trilobata</i>
Acta Crystallographica Section E, 2003, 59, o771-o772
2202218 CIF
HKL
Paper		C15 H18 O6P 6511.3438; 11.3438; 19.665
90; 90; 120		2191.5Dale, Sophie H.; Elsegood, Mark R. J.
Triethyl benzene-1,3,5-tricarboxylate
Acta Crystallographica Section E, 2003, 59, o836-o837
2207317 CIF
Paper		C16 H27 Cl3 N2 O5P 6512.1055; 12.1055; 26.939
90; 90; 120		3418.8Oku, Hiroyuki; Endo, Teruya; Yamada, Keiichi; Katakai, Ryoichi
<i>tert</i>-Butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-alanine trichloroethyl ester (Boc-<small>L</small>-Leu-<small>L</small>-Ala-OTce)
Acta Crystallographica Section E, 2005, 61, o3864-o3866
2207709 CIF
HKL
Paper		C24 H27 Cu N3 O8P 6514.408; 14.408; 21.63
90; 90; 120		3888.6Gao, Shan; Ng, Seik Weng
<i>catena</i>-Poly[[[tris(pyridine-κ<i>N</i>)copper(II)]-μ-3-carboxylatophenoxyacetato-κ^2^<i>O</i>^3^:<i>O</i>'] trihydrate]
Acta Crystallographica Section E, 2005, 61, m2696-m2698
2209271 CIF
Paper		C18 H31 Cl3 N2 O5P 6512.245; 12.245; 27.416
90; 90; 120		3560Oku, Hiroyuki; Endo, Teruya; Yamada, Keiichi; Katakai, Ryoichi
<i>tert</i>-Butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-valine trichloroethyl ester (Boc-<small>L</small>-Leu-<small>L</small>-Val-OTce)
Acta Crystallographica Section E, 2006, 62, o2347-o2349
2213452 CIF
HKL
Paper		C14 H22 O6P 6515.6104; 15.6104; 12.434
90; 90; 120		2624.03Booth, Kathrine V.; Jenkinson, Sarah F.; Fleet, George W. J.; Watkin, David J.
2,3:5,6-Di-<i>O</i>-isopropylidene-3,5-di-<i>C</i>-methyl-<small>L</small>-mannono-1,4-lactone
Acta Crystallographica Section E, 2007, 63, o2204-o2206
2217325 CIF
HKL
Paper		C15 H22 O3P 657.6239; 7.6239; 38.064
90; 90; 120		1916Gallucci, Judith C.; Inomata, Kohei; Dura, Robert D.; Paquette, Leo A.
(+)-(1<i>S</i>,5<i>R</i>,10<i>S</i>)-11,11-Dimethyl-4-oxatricyclo[8.4.0.0^1,5^]tetradecane-3,12-dione
Acta Crystallographica Section E, 2008, 64, o287-o287
2232717 CIF
HKL
Paper		C8 H7 F3 N2 O4 SP 659.4119; 9.4119; 21.96
90; 90; 120		1684.7Liu, Ming-Liang
2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium hydrogen sulfate
Acta Crystallographica Section E, 2011, 67, o3473
2311167 CIF
Paper		C24 H24 F N3 O2 SP 6513.2082; 13.2082; 23.584
90; 90; 120		3563.2Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Büyükgüngör, Orhan
5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-aza-spiro-[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide.
Acta crystallographica. Section E, Structure reports online, 2013, 69, o1229
4000104 CIFB Fe1.05 H0 N0.41 O10.59 P2P 659.483; 9.483; 15.697
90; 90; 120		1222.5Huang, Ya-Xi; Schäfer, Gerd; Carrillo-Carbrera, Wilder; Cardoso, Raul; Schnelle, Walter; Zhao, Jing-Tai; Kniep, Rüdiger
Open-Framework Borophosphates: (NH4)0.4Fe1.05(H2O)2[BP2O8]*0.6H2O and NH4Fe[BP2O8(OH)]
Chemistry of Materials, 2001
4001602 CIFC42.33 H52.67 Br Cl0.67 N O3P 6516.4176; 16.4176; 77.83
90; 90; 120		18167.6Melville, James L.; Lovelock, Kevin R. J.; Wilson, Claire; Allbutt, Bryan; Burke, Edmund K.; Lygo, Barry; Hirst, Jonathan D.
Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D Quantitative Structure−Selectivity Relationships
Journal of Chemical Information and Modeling, 2005, 45, 971
4003500 CIFCs K Mo O9 P2P 658.446; 8.446; 21.998
90; 90; 120		1359Baiheti, Tuohetijiang; Han, Shujuan; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie
Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O9
Chemistry of Materials, 2020
4003935 CIFC32 H38 N2 O5P 6510.2757; 10.2757; 44.5409
90; 90; 120		4073Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting
Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique
Chemistry of Materials, 2021
4003936 CIFC32 H38 N2 O5P 6510.2919; 10.2919; 44.5234
90; 90; 120		4084.2Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting
Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique
Chemistry of Materials, 2021
4003937 CIFC32 H38 N2 O5P 6510.3118; 10.3118; 44.4991
90; 90; 120		4097.8Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting
Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique
Chemistry of Materials, 2021
4003938 CIFC32 H38 N2 O5P 6510.3327; 10.3327; 44.479
90; 90; 120		4112.6Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting
Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique
Chemistry of Materials, 2021
4003939 CIFC32 H38 N2 O5P 6510.3565; 10.3565; 44.4604
90; 90; 120		4129.8Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting
Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique
Chemistry of Materials, 2021
4003940 CIFC32 H38 N2 O5P 6510.3834; 10.3834; 44.399
90; 90; 120		4145.6Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting
Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique
Chemistry of Materials, 2021
4020326 CIFC15 H23 N O4P 659.1922; 9.1922; 29.597
90; 90; 120		2165.8Albert Padwa; John D. Ginn
Journal of Organic Chemistry, 2005, 70, 5197-5206
4020550 CIFC19 H32 N2 O5P 6511.8865; 11.8865; 26.52
90; 90; 120		3245Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño
(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study
Journal of Organic Chemistry, 2005, 70, 7963-7971
4021662 CIFC14 H11 N O2 SP 659.841; 9.841; 22.1322
90; 90; 120		1856.24Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes
New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor
Journal of Organic Chemistry, 2006, 71, 3650-3652
4022899 CIFC9 H9 N2 O4 PP 659.085; 9.085; 20.973
90; 90; 120		1499.2Tiago A. S. Brandão; Elisa S. Orth; Willian R. Rocha; Adailton J. Bortoluzzi; Clifford A. Bunton; Faruk Nome
Intramolecular General Acid Catalysis of the Hydrolysis of 2-(2'-Imidazolium)phenyl Phosphate, and Bond Length-Reactivity Correlations for Reactions of Phosphate Monoester Monoanions
Journal of Organic Chemistry, 2007, 72, 3800-3807
4023148 CIFC15 H18 Cl N O4P 6517.25; 17.25; 9.5313
90; 90; 120		2456.3Sanzhong Luo; Long Zhang; Xueling Mi; Yupu Qiao; Jin-Pei Cheng
Functionalized Chiral Ionic Liquid Catalyzed Enantioselective Desymmetrizations of Prochiral Ketones via Asymmetric Michael Addition Reaction
Journal of Organic Chemistry, 2007, 72, 9350-9352
4024604 CIFC20 H30 N2 O4P 6511.728; 11.728; 26.998
90; 90; 120		3216Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez
Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives
Journal of Organic Chemistry, 2009, 74, 4655-4665
4024606 CIFC20 H29 I N2 O4P 6512.1051; 12.1051; 27.288
90; 90; 120		3462.8Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez
Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives
Journal of Organic Chemistry, 2009, 74, 4655-4665
4025255 CIFC29 H37 N3 O11 SP 6522.7516; 22.7516; 10.9962
90; 90; 120		4929.4Hai Ma; Kun Liu; Fa-Guang Zhang; Chuan-Le Zhu; Jing Nie; Jun-An Ma
Chiral Bifunctional Thiourea-Catalyzed Enantioselective Michael Addition of Ketones to Nitrodienes
Journal of Organic Chemistry, 2010, 75, 1402-1409
4026209 CIF
HKL		C36 H66 Cl2 N4 O3 S2P 6517.6766; 17.6766; 12.3407
90; 90; 120		3339.4Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna
Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines
Journal of Organic Chemistry, 2011, 76, 2635-2647
4028628 CIFC19 H16 Br N3 OP 6519.3207; 19.3207; 8.1719
90; 90; 120		2641.8Sandra Milosevic; Antonio Togni
Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines to Unsaturated Nitriles Catalyzed by NiII-Pigiphos
Journal of Organic Chemistry, 2013, 78, 9638-9646
4030600 CIFC24 H35 N3 O2P 6517.4169; 17.4169; 13.7581
90; 90; 120		3614.4Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy
Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.
The Journal of organic chemistry, 2015, 80, 1533-1549
4032168 CIFC27 H31 F6 N2 PP 6510.0763; 10.0763; 46.527
90; 90; 120		4091.1Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc
Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.
The Journal of organic chemistry, 2017, 82, 1880-1887
4032650 CIFC10 H12 O2P 6514.7787; 14.7787; 7.6213
90; 90; 120		1441.56Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.
Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.
The Journal of organic chemistry, 2017, 82, 8008-8022
4032677 CIFC22 H20 Br N O6 SP 6511.4848; 11.4848; 28.4095
90; 90; 120		3245.2Kim, Hanna; Kim, Yerin; Kim, Sung-Gon
Organocatalytic Asymmetric Mannich/Aza-Michael Cascade Reaction of δ-Formyl-α,β-unsaturated Ketones with Cyclic N-Sulfimines: Enantioselective Synthesis of Benzosulfamidate-Fused Pyrrolidines.
The Journal of organic chemistry, 2017
4033282 CIFC39 H43 N O4P 6515.6496; 15.6496; 28.7595
90; 90; 120		6099.84Zhang, Zhi-Pei; Xie, Kai-Xue; Yang, Chen; Li, Man; Li, Xin
Asymmetric Synthesis of Dihydrocoumarins through Chiral Phosphoric Acid Catalyzed Cycloannulation of para-Quinone Methides and Azlactones.
The Journal of organic chemistry, 2017
4033856 CIFC21 H27 O2.5P 6515.6307; 15.6307; 12.5351
90; 90; 120		2652.26Pflug, Nicholas C.; Patterson, Eric V.; Martinović-Weigelt, Dalma; Kolodziej, Edward P.; Gloer, James B.; McNeill, Kristopher; Cwiertny, David M.; Wammer, Kristine H.
Intramolecular [2 + 2] Photocycloaddition of Altrenogest: Confirmation of Product Structure, Theoretical Mechanistic Insight, and Bioactivity Assessment.
The Journal of organic chemistry, 2019, 84, 11366-11371
4035636 CIFC19 H30 O5P 6510.6537; 10.6537; 29.4663
90; 90; 120		2896.39Takagi, Ryukichi; Fujii, Emi; Kondo, Hirotoshi
Enantioselective Michael Reaction of Cyclic β-Ketoesters with Morita-Baylis-Hillman Derivatives Using a Phase-Transfer Catalyst.
The Journal of organic chemistry, 2018, 83, 11191-11203
4036618 CIFC15 H26 O2P 6521.353; 21.353; 5.8048
90; 90; 120		2292.1Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.
Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.
The Journal of organic chemistry, 2016, 81, 2078-2086
4037193 CIFC60 H75 N2 O6P 6520.0572; 20.0572; 26.9244
90; 90; 120		9380.31Xu, Wen-Qiang; Liu, Wen-Shan; Yan, Jiu-Xing; Ma, Shi-Kun; Guo, Jing; Liu, Jun-Min; Wang, Run-Ling; Li, Shao-Yong
An Approach to Optically Pure Bridging Chiral p-tert-Butylcalix[4]arenes through a Homologous Anionic Ortho-Fries Rearrangement.
The Journal of organic chemistry, 2016, 81, 10683-10687
4037415 CIFC26 H28 N4 O6P 6527.8709; 27.8709; 5.9519
90; 90; 120		4003.95Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij
Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.
The Journal of organic chemistry, 2016, 81, 11802-11812
4037578 CIFC25 H21 F3 N2 OP 659.9188; 9.9188; 74.552
90; 90; 120		6352Wang, Xin-Wei; Chen, Mu-Wang; Wu, Bo; Wang, Baomin; Zhou, Yong-Gui
Chiral Phosphoric Acid-Catalyzed Synthesis of Fluorinated 5,6-Dihydroindolo[1,2- c]quinazolines with Quaternary Stereocenters.
The Journal of organic chemistry, 2019, 84, 8300-8308
4038862 CIFC15 H16 O3P 6524.0111; 24.0111; 22.65
90; 90; 120		11309Kleiner, Yolanda; Hammann, Peter; Becker, Jonathan; Bauer, Armin; Pöverlein, Christoph; Schuler, Sören M M
Total Synthesis and Structure Revision of (-)-Avicennone C.
The Journal of organic chemistry, 2020
4060737 CIFC56 H51 I O P2 PdP 6529.934; 29.934; 11.858
90; 90; 120		9202Organometallics, 2003
4060744 CIFC51 H44 B F24 O P PdP 6513.0281; 13.0281; 56.9568
90; 90; 120		8372.2Organometallics, 2003

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