Crystallography Open Database

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7231270 CIFC120 H106 O14 Si10P -110.7786; 15.484; 18.0102
109.584; 97.1583; 103.258
2689.1Moore, Levi M. J.; Zavala, Jacob J.; Lamb, Jason T.; Reams, Josiah T.; Yandek, Gregory R.; Guenthner, Andrew J.; Haddad, Timothy S.; Ghiassi, Kamran B.
Bis-phenylethynyl polyhedral oligomeric silsesquioxanes: new high-temperature, processable thermosetting materials
RSC Advances, 2018, 8, 27400
7231271 CIFC90 H76 O14 Si10P -113.9131; 14.5885; 23.0779
97.0446; 102.95; 111.091
4151.42Moore, Levi M. J.; Zavala, Jacob J.; Lamb, Jason T.; Reams, Josiah T.; Yandek, Gregory R.; Guenthner, Andrew J.; Haddad, Timothy S.; Ghiassi, Kamran B.
Bis-phenylethynyl polyhedral oligomeric silsesquioxanes: new high-temperature, processable thermosetting materials
RSC Advances, 2018, 8, 27400
7231281 CIFC15 H16 O5P 1 21 15.8641; 9.4679; 11.6419
90; 94.465; 90
644.4Shi, Ting; Hou, Xue-Mei; Li, Zhi-Yong; Cao, Fei; Zhang, Ya-Hui; Yu, Jia-Yin; Zhao, Dong-Lin; Shao, Chang-Lun; Wang, Chang-Yun
Harzianumnones A and B: two hydroxyanthraquinones from the coral-derived fungus Trichoderma harzianum
RSC Advances, 2018, 8, 27596
7231301 CIFC47 H42 N2 O14 Zn2P 1 21 110.2719; 16.6231; 19.0321
90; 98.982; 90
3209.9Tanaka, Koichi; Kinoshita, Maya; Kayahara, Jun; Uebayashi, Yutaro; Nakaji, Kazusada; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia
Asymmetric ring-opening reaction of meso-epoxides with aromatic amines using homochiral metal‒organic frameworks as recyclable heterogeneous catalysts
RSC Advances, 2018, 8, 28139
7231302 CIFC21 H29 N O3 SP 1 21/n 19.906; 20.872; 10.617
90; 102.655; 90
2141.8Saavedra-Olavarría, Jorge; Madrid-Rojas, Matías; Almodovar, Iriux; Hermosilla-Ibáñez, Patricio; Pérez, Edwin G.
Synthesis of β-alkoxy-N-protected phenethylamines via one-pot copper-catalyzed aziridination and ring opening
RSC Advances, 2018, 8, 27919
7231320 CIFC18 H21 Co N10 O2P 1 21/c 17.9648; 7.9932; 31.0201
90; 96.409; 90
1962.53Ghosh, Kousik; Banerjee, Abhisek; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik
One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-relevant catalytic activities
RSC Advances, 2018, 8, 28216
7231321 CIFC20 H25 Co N10 O2P 1 21/c 116.1282; 7.7871; 18.6891
90; 104.133; 90
2276.15Ghosh, Kousik; Banerjee, Abhisek; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik
One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-relevant catalytic activities
RSC Advances, 2018, 8, 28216
7231322 CIFC23 H42 N6C 1 2/c 121.884; 9.4228; 27.0076
90; 113.472; 90
5108.4Curnow, Owen J.; Polson, Matthew I. J.; Walst, Kelvin J.; Yunis, Ruhamah
Synthesis and physical properties of tris(dialkylamino)cyclopropenium dicyanamide ionic liquids
RSC Advances, 2018, 8, 28313
7231323 CIFC11 H20 N6 OC 1 2/c 123.212; 9.0056; 13.5409
90; 104.386; 90
2741.81Curnow, Owen J.; Polson, Matthew I. J.; Walst, Kelvin J.; Yunis, Ruhamah
Synthesis and physical properties of tris(dialkylamino)cyclopropenium dicyanamide ionic liquids
RSC Advances, 2018, 8, 28313
7231351 CIFC59 H41 B Cl4 F2 N2 O2P -113.4441; 13.8945; 15.6741
67.977; 69.106; 86.313
2527.6Yousaf, Muhammad; Zarate, Ximena; Schott, Eduardo; Lough, Alan J.; Koivisto, Bryan D.
Photophysical behaviour of BODIPY-phenylacetylene macrocyclic dyads for light-harvesting applications
RSC Advances, 2018, 8, 28533
7231352 CIFC57 H37 B F2 N2 O2P -110.832; 13.6752; 18.0475
77.65; 74.953; 73.617
2448.18Yousaf, Muhammad; Zarate, Ximena; Schott, Eduardo; Lough, Alan J.; Koivisto, Bryan D.
Photophysical behaviour of BODIPY-phenylacetylene macrocyclic dyads for light-harvesting applications
RSC Advances, 2018, 8, 28533
7231365 CIFF5 Na UP -3 c 110.0029; 10.0029; 13.0457
90; 90; 120
1130.4Chemey, Alexander T.; Sperling, Joseph M.; Albrecht-Schmitt, Thomas E.
Expanding pentafluorouranates: hydrothermal synthesis and characterization of β-NaUF5 and β-NaUF5·H2O
RSC Advances, 2018, 8, 28642
7231366 CIFF5 H2 Na O UP 1 21/c 17.957; 7.027; 8.792
90; 108.678; 90
465.7Chemey, Alexander T.; Sperling, Joseph M.; Albrecht-Schmitt, Thomas E.
Expanding pentafluorouranates: hydrothermal synthesis and characterization of β-NaUF5 and β-NaUF5·H2O
RSC Advances, 2018, 8, 28642
7231367 CIFC10 H21 Cl2 N2 O2 ZnP 1 21/c 110.3713; 12.4965; 11.9806
90; 94.277; 90
1548.4Mardani, Zahra; Kazemshoar-Duzduzani, Reza; Moeini, Keyvan; Hajabbas-Farshchi, Alireza; Carpenter-Warren, Cameron; Slawin, Alexandra M. Z.; Woollins, J. Derek
Anticancer activities of a β-amino alcohol ligand and nanoparticles of its copper(ii) and zinc(ii) complexes evaluated by experimental and theoretical methods
RSC Advances, 2018, 8, 28810
7231368 CIFC10 H22 Cl2 Cu N2 O2P b c a6.63584; 11.8221; 34.9929
90; 90; 90
2745.18Mardani, Zahra; Kazemshoar-Duzduzani, Reza; Moeini, Keyvan; Hajabbas-Farshchi, Alireza; Carpenter-Warren, Cameron; Slawin, Alexandra M. Z.; Woollins, J. Derek
Anticancer activities of a β-amino alcohol ligand and nanoparticles of its copper(ii) and zinc(ii) complexes evaluated by experimental and theoretical methods
RSC Advances, 2018, 8, 28810
7231369 CIFC10 H22 Br2 Cu N2 O2P b c a6.68836; 12.3506; 35.1567
90; 90; 90
2904.13Mardani, Zahra; Kazemshoar-Duzduzani, Reza; Moeini, Keyvan; Hajabbas-Farshchi, Alireza; Carpenter-Warren, Cameron; Slawin, Alexandra M. Z.; Woollins, J. Derek
Anticancer activities of a β-amino alcohol ligand and nanoparticles of its copper(ii) and zinc(ii) complexes evaluated by experimental and theoretical methods
RSC Advances, 2018, 8, 28810
7231374 CIFC31 H25 Cl N2 O3P 1 21/c 113.114; 22.015; 9.2346
90; 105.66; 90
2567.1Sun, Jing; Jiang, Wang; Yan, Chao-Guo
Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction
RSC Advances, 2018, 8, 28736
7231375 CIFC27 H28 N2 O3P -17.9309; 8.1886; 18.5826
96.559; 100.627; 98.478
1160.7Sun, Jing; Jiang, Wang; Yan, Chao-Guo
Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction
RSC Advances, 2018, 8, 28736
7231376 CIFC24 H22 N2 O2P 21 21 218.5245; 9.0785; 25.005
90; 90; 90
1935.1Sun, Jing; Jiang, Wang; Yan, Chao-Guo
Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction
RSC Advances, 2018, 8, 28736
7231377 CIFC31 H25 Br N2 O4P 1 21/c 115.3274; 10.9875; 15.7022
90; 106.769; 90
2532Sun, Jing; Jiang, Wang; Yan, Chao-Guo
Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction
RSC Advances, 2018, 8, 28736
7231378 CIFC31 H25 Cl N2 O4P 1 21/c 115.2082; 10.9099; 15.7373
90; 106.78; 90
2500Sun, Jing; Jiang, Wang; Yan, Chao-Guo
Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction
RSC Advances, 2018, 8, 28736
7231379 CIFC30 H22 Br Cl N2 O4P 1 21/c 114.2605; 13.5158; 14.5519
90; 115.111; 90
2539.68Sun, Jing; Jiang, Wang; Yan, Chao-Guo
Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction
RSC Advances, 2018, 8, 28736
7231380 CIFC20 H23 Cl N2 O5P b c n29.349; 11.9764; 11.579
90; 90; 90
4070Zhong, Yuan; Hong, Sihua; Cai, Zhengjun; Ma, Shixiong; Jiang, Xianxing
Direct β-selectivity of α,β-unsaturated γ-butyrolactam for asymmetric conjugate additions in an organocatalytic manner
RSC Advances, 2018, 8, 28874
7231383 CIFC12 H21 Fe O3 S6P 1 21/c 113.9928; 15.6007; 9.13185
90; 102.292; 90
1947.76Almanqur, Laila; Vitorica-yrezabal, Inigo; Whitehead, George; Lewis, David J.; O'Brien, Paul
Synthesis of nanostructured powders and thin films of iron sulfide from molecular precursors
RSC Advances, 2018, 8, 29096
7231384 CIFC12 H21 Fe O3 S6P 1 21/n 19.8787; 9.6899; 21.8298
90; 101.469; 90
2047.9Almanqur, Laila; Vitorica-yrezabal, Inigo; Whitehead, George; Lewis, David J.; O'Brien, Paul
Synthesis of nanostructured powders and thin films of iron sulfide from molecular precursors
RSC Advances, 2018, 8, 29096
7231392 CIFC45 H32 Dy F9 N2 O9P -110.742; 12.7566; 16.96
85.703; 80.218; 66.118
2094.1Zhang, Sheng; Mo, Wenjiao; Zhang, Jiangwei; Wu, Haipeng; Li, Min; Lü, Xingqiang; Yin, Bing; Yang, Desuo
Experimental and theoretical interpretation of the magnetic behavior of two Dy(iii) single-ion magnets constructed through β-diketonate ligands with different substituent groups (‒Cl/‒OCH3)
RSC Advances, 2018, 8, 29513
7231393 CIFC42 H23 Cl3 Dy F9 N2 O6P -111.5704; 12.1367; 15.4949
98.652; 100.231; 102.305
2051.6Zhang, Sheng; Mo, Wenjiao; Zhang, Jiangwei; Wu, Haipeng; Li, Min; Lü, Xingqiang; Yin, Bing; Yang, Desuo
Experimental and theoretical interpretation of the magnetic behavior of two Dy(iii) single-ion magnets constructed through β-diketonate ligands with different substituent groups (‒Cl/‒OCH3)
RSC Advances, 2018, 8, 29513
7231394 CIFC31 H34 O8P 21 21 217.3902; 8.3748; 43.293
90; 90; 90
2679.5Luo, Dong-Dong; Peng, Kai; Yang, Jia-Yu; Piyachaturawat, Pawinee; Saengsawang, Witchuda; Ao, Lei; Zhao, Wan-Zhou; Tang, Yu; Wan, Sheng-Biao
Structural modification of oridonin via DAST induced rearrangement
RSC Advances, 2018, 8, 29548
7231433 CIFC17 H18 O4 SP 1 21/c 15.6186; 28.314; 9.5145
90; 92.382; 90
1512.31Elagawany, Mohamed; Hegazy, Lamees; Cao, Feng; Donlin, Maureen J.; Rath, Nigam; Tavis, John; Elgendy, Bahaa
Identification of 4-isopropyl‒thiotropolone as a novel anti-microbial: regioselective synthesis, NMR characterization, and biological evaluation
RSC Advances, 2018, 8, 29967
7231434 CIFC17 H19 N0 O2P 329.5307; 9.5307; 12.9688
90; 90; 120
1020.19Jiang, Qian; Zhang, Mingguang; Wang, Zhonglong; Song, Jie; Yang, Yiqin; Li, Wenchao; Gu, Wen; Xu, Xu; Xu, Haijun; Wang, Shifa
Nopinone-based aggregation-induced emission (AIE)-active difluoroboron β-diketonate complex: photophysical, electrochemical and electroluminescence properties
RSC Advances, 2018, 8, 30055
7231435 CIFC34 H28 F3 N O5P -110.8707; 12.3194; 13.1341
87.958; 74.654; 70.533
1596.57Dang, Xinxin; He, Yu; Liu, Yingtian; Chen, Xuehong; Li, Jun-Long; Zhou, Xian-Li; Jiang, Hezhong; Li, Jiahong
Rh(iii)-catalyzed synthesis of tetracyclic isoquinolinium salts via C‒H activation and [4+2] annulation of 1-phenyl-3,4-dihydroisoquinolines and alkynes in ethanol
RSC Advances, 2018, 8, 30050
7231452 CIFC21 H17 F2 N OP 1 21/n 110.143; 9.497; 19.05
90; 99.453; 90
1810.1Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng
Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes
RSC Advances, 2018, 8, 30374
7231453 CIFC34 H28 Cl N OP 1 21/c 113.5024; 9.0647; 22.691
90; 97.115; 90
2755.9Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng
Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes
RSC Advances, 2018, 8, 30374
7231454 CIFC21 H18 Br N OP -19.5843; 10.5582; 19.241
77.833; 83.469; 66.8
1748.38Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng
Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes
RSC Advances, 2018, 8, 30374
7231455 CIFC21 H18 Br N OP 1 21/n 111.3526; 38.9014; 13.5468
90; 114.621; 90
5438.8Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng
Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes
RSC Advances, 2018, 8, 30374
7231494 CIFC19 H22 N2 O3P 1 c 116.4048; 6.0674; 8.349
90; 91.077; 90
830.87Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata
Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies
RSC Advances, 2018, 8, 30994
7231495 CIFC19 H22 N2 O3P c c n9.396; 37.076; 9.9611
90; 90; 90
3470.1Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata
Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies
RSC Advances, 2018, 8, 30994
7231496 CIFC23 H30 Cu2 N2 O7P 1 21/n 115.4733; 9.949; 15.8181
90; 99.548; 90
2401.37Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata
Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies
RSC Advances, 2018, 8, 30994
7231497 CIFC20 H24 Cu N2 O4P 1 21/c 111.98914; 10.38861; 16.00151
90; 110.579; 90
1865.82Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata
Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies
RSC Advances, 2018, 8, 30994
7231498 CIFC31 H44 O8P 1 21 111.7467; 9.7126; 12.6975
90; 103.467; 90
1408.84Li, Lei; Peng, Xing-Rong; Dong, Jin-Run; Lu, Shuang-Yang; Li, Xiao-Nian; Zhou, Lin; Qiu, Ming-Hua
Rearranged lanostane-type triterpenoids with anti-hepatic fibrosis activities from Ganoderma applanatum
RSC Advances, 2018, 8, 31287
7231508 CIFC56 H48 Ca4 O24P 1 21/n 17.566; 17.062; 11.3231
90; 99.531; 90
1441.5Kojima, Daichi; Sanada, Tomoe; Wada, Noriyuki; Kojima, Kazuo
Synthesis, structure, and fluorescence properties of a calcium-based metal‒organic framework
RSC Advances, 2018, 8, 31588
7231509 CIFC20 H28 O6P 21 21 217.6565; 9.8198; 24.8755
90; 90; 90
1870.27Wang, Shuang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Feng, Tao; Liu, Ji-Kai
Polyellisin, a novel polyketide from cultures of the basidiomycete Polyporus ellisii
RSC Advances, 2018, 8, 31538
7231533 CIFC2 H6 Cu3 O8P 1 21/c 17.0572; 9.1203; 5.7992
90; 105.878; 90
359.02Fujita, Wataru
Crystal structures, and magnetic and thermal properties of basic copper formates with two-dimensional triangular-lattice magnetic networks
RSC Advances, 2018, 8, 32490
7231534 CIFC H2 Cu O3P 1 21/m 13.2574; 5.9387; 7.246
90; 101.805; 90
137.21Fujita, Wataru
Crystal structures, and magnetic and thermal properties of basic copper formates with two-dimensional triangular-lattice magnetic networks
RSC Advances, 2018, 8, 32490
7231544 CIFC20 H21 N O3P 1 21 16.2977; 7.4401; 18.2018
90; 92.594; 90
851.98Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro
Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol
RSC Advances, 2018, 8, 32601
7231545 CIFC21 H23 N O3P 1 21 16.4767; 6.7235; 20.8609
90; 93.851; 90
906.36Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro
Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol
RSC Advances, 2018, 8, 32601
7231546 CIFC20 H21 N O3P 1 21 16.2884; 9.3902; 14.9711
90; 98.263; 90
874.86Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro
Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol
RSC Advances, 2018, 8, 32601
7231547 CIFC21 H23 N O3P 21 21 219.5492; 9.6708; 19.5238
90; 90; 90
1803Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro
Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol
RSC Advances, 2018, 8, 32601
7231548 CIFC14 H29 N O4P 1 21/c 120.667; 8.681; 9.051
90; 91.06; 90
1623.6Megarajan, Sengan; Subramaniyan, Siva Bala; Muthuswamy, Sureshan; Anthony, Savarimuthu Philip; Arunachalam, Jothi; Moon, Dohyun; Veerappan, Anbazhagan
Synthesis, supramolecular organization and thermotropic phase behaviour of N-acyltris(hydroxymethyl)aminomethane
RSC Advances, 2018, 8, 32823
7231549 CIFC16 H33 N O4P 1 21/c 123.076; 8.676; 9.051
90; 91.41; 90
1811.5Megarajan, Sengan; Subramaniyan, Siva Bala; Muthuswamy, Sureshan; Anthony, Savarimuthu Philip; Arunachalam, Jothi; Moon, Dohyun; Veerappan, Anbazhagan
Synthesis, supramolecular organization and thermotropic phase behaviour of N-acyltris(hydroxymethyl)aminomethane
RSC Advances, 2018, 8, 32823

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