Crystallography Open Database

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4507063 CIFC62 H62 O4P -16.801; 12.486; 14.756
104.804; 93.331; 97.28
1196.3Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha
Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion
Crystal Growth & Design, 2012, 12, 6134
4507064 CIFC110 H105 N O10C 1 2/c 140.57; 15.752; 13.5431
90; 97.797; 90
8575Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha
Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion
Crystal Growth & Design, 2012, 12, 6134
4507065 CIFC66 H66 O4P c a 2114.787; 15.341; 22.729
90; 90; 90
5156Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha
Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion
Crystal Growth & Design, 2012, 12, 6134
4507066 CIFC92 H61 N8 O28 S4 Zn4P -111.684; 13.506; 14.584
77.331; 89.819; 73.113
2144Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen
Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand
Crystal Growth & Design, 2012, 12, 5783
4507067 CIFC46 H31 Cd2 N4 O16 S2P -110.3359; 10.9742; 13.6908
91.612; 111.91; 107.339
1358.2Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen
Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand
Crystal Growth & Design, 2012, 12, 5783
4507068 CIFC23 H14 Co N2 O6 SP -110.1147; 10.4886; 14.2851
106.485; 101.608; 102.81
1359.3Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen
Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand
Crystal Growth & Design, 2012, 12, 5783
4507069 CIFC28 H18 N2 O5 S ZnC 1 2/c 120.682; 19.366; 20.733
90; 114.878; 90
7533.6Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen
Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand
Crystal Growth & Design, 2012, 12, 5783
4507070 CIFC56 H36 Co2 N4 O10 S2P 1 21/c 119.796; 22.262; 13.044
90; 99.852; 90
5663.7Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen
Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand
Crystal Growth & Design, 2012, 12, 5783
4507071 CIFC60 H44 N4 O20 S2 Zn4P -110.1761; 14.5967; 22.8332
72.626; 82.585; 80.492
3180.9Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen
Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand
Crystal Growth & Design, 2012, 12, 5783
4507072 CIFC32 H28 Cu4 O24 SiP 4/n m m :217.492; 17.492; 9.105
90; 90; 90
2786Xue, Yun-Shan; Jin, Feng-Yan; Zhou, Lian; Liu, Mei-Pin; Xu, Yan; Du, Hong-Bin; Fang, Min; You, Xiao-Zeng
Structural Diversity and Properties of Coordination Polymers Built from a Rigid Octadentenate Carboxylic Acid
Crystal Growth & Design, 2012, 12, 6158
4507073 CIFC82 H94 N8 O38 Si2 Zn5C 1 2/c 123.168; 18.615; 25.483
90; 101.768; 90
10759Xue, Yun-Shan; Jin, Feng-Yan; Zhou, Lian; Liu, Mei-Pin; Xu, Yan; Du, Hong-Bin; Fang, Min; You, Xiao-Zeng
Structural Diversity and Properties of Coordination Polymers Built from a Rigid Octadentenate Carboxylic Acid
Crystal Growth & Design, 2012, 12, 6158
4507074 CIFC76 H84 Cd3 N6 O32 Si2C 1 2/c 123.179; 19.0074; 26.112
90; 99.417; 90
11349Xue, Yun-Shan; Jin, Feng-Yan; Zhou, Lian; Liu, Mei-Pin; Xu, Yan; Du, Hong-Bin; Fang, Min; You, Xiao-Zeng
Structural Diversity and Properties of Coordination Polymers Built from a Rigid Octadentenate Carboxylic Acid
Crystal Growth & Design, 2012, 12, 6158
4507075 CIFC21 H31 N3 O5P 1 21 114.66805; 5.91244; 14.22565
90; 112.881; 90
1136.63Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Yonemochi, Etsuo; Terada, Katsuhide
Mechanism of Dehydration‒Hydration Processes of Lisinopril Dihydrate Investigated by ab Initio Powder X-ray Diffraction Analysis
Crystal Growth & Design, 2012, 12, 6165
4507076 CIFC21 H31 N3 O5P 1 21 115.17734; 5.94528; 14.22942
90; 120.622; 90
1104.92Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Yonemochi, Etsuo; Terada, Katsuhide
Mechanism of Dehydration‒Hydration Processes of Lisinopril Dihydrate Investigated by ab Initio Powder X-ray Diffraction Analysis
Crystal Growth & Design, 2012, 12, 6165
4507077 CIFC28 H35 N O3P 1 21/c 112.154; 11.8231; 17.9886
90; 101.881; 90
2529.5Nath, Bhaskar; Baruah, Jubaraj B.
Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane
Crystal Growth & Design, 2012, 12, 6173
4507078 CIFC29 H38 N2 O3P 1 21/c 112.3499; 12.7854; 17.0726
90; 101.913; 90
2637.7Nath, Bhaskar; Baruah, Jubaraj B.
Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane
Crystal Growth & Design, 2012, 12, 6173
4507079 CIFC30 H40 N2 O2P 1 21/c 112.4222; 12.7119; 17.3961
90; 102.16; 90
2685.4Nath, Bhaskar; Baruah, Jubaraj B.
Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane
Crystal Growth & Design, 2012, 12, 6173
4507080 CIFC29 H37 N O5P -19.8237; 11.8361; 13.2385
68.077; 88.819; 68.848
1320.1Nath, Bhaskar; Baruah, Jubaraj B.
Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane
Crystal Growth & Design, 2012, 12, 6173
4507081 CIFC34 H45 N3 O2P -18.6308; 11.699; 15.9227
107.295; 105.133; 92.092
1470.4Nath, Bhaskar; Baruah, Jubaraj B.
Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane
Crystal Growth & Design, 2012, 12, 6173
4507082 CIFC27 H35 N O3 SP 1 21/c 112.3211; 11.3408; 18.5015
90; 98.554; 90
2556.5Nath, Bhaskar; Baruah, Jubaraj B.
Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane
Crystal Growth & Design, 2012, 12, 6173
4507083 CIFC29 H38 N2 O3P 1 21/c 112.606; 11.689; 18.529
90; 105.15; 90
2635Nath, Bhaskar; Baruah, Jubaraj B.
Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane
Crystal Growth & Design, 2012, 12, 6173
4507084 CIFC56 H70 N4 O7P -112.988; 14.491; 15.156
88.529; 70.482; 88.285
2687Nath, Bhaskar; Baruah, Jubaraj B.
Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane
Crystal Growth & Design, 2012, 12, 6173
4507085 CIFC23 H27 N3 O3 SP 17.2651; 8.983; 10.109
97.82; 110.42; 112.3
543.9Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun
Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability
Crystal Growth & Design, 2012, 12, 6181
4507086 CIFC22 H23 Cl N2 O3 SC 1 c 110.363; 11.163; 17.892
90; 92.15; 90
2068.3Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun
Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability
Crystal Growth & Design, 2012, 12, 6181
4507087 CIFC22 H26 N2 O5 SP 1 21/c 114.208; 10.027; 16.146
90; 113.042; 90
2116.7Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun
Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability
Crystal Growth & Design, 2012, 12, 6181
4507088 CIFC17 H19 F3 N2 O3 SP 1 21/c 117.5; 7.605; 13.547
90; 93.708; 90
1799Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun
Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability
Crystal Growth & Design, 2012, 12, 6181
4507089 CIFC8 H8 N O4P 1 21/c 16.697; 5.12; 23.07
90; 98.82; 90
781.7Tothadi, Srinu; Desiraju, Gautam R.
Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Crystal Growth & Design, 2012, 12, 6188
4507090 CIFC9 H10 N O4P 1 21/c 18.886; 5.118; 21.046
90; 113.321; 90
878.9Tothadi, Srinu; Desiraju, Gautam R.
Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Crystal Growth & Design, 2012, 12, 6188
4507091 CIFC9 H9 N O4P 1 21/c 18.7771; 5.2395; 20.63
90; 114.787; 90
861.3Tothadi, Srinu; Desiraju, Gautam R.
Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Crystal Growth & Design, 2012, 12, 6188
4507092 CIFC9.5 H11 N O4C 1 2/c 117.067; 5.077; 25.609
90; 121.71; 90
1887.7Tothadi, Srinu; Desiraju, Gautam R.
Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Crystal Growth & Design, 2012, 12, 6188
4507093 CIFC19 H22 N2 O8C 1 2/c 122.27; 5.17; 33.69
90; 92.33; 90
3875.7Tothadi, Srinu; Desiraju, Gautam R.
Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Crystal Growth & Design, 2012, 12, 6188
4507094 CIFC10 H14 N O5P -15.169; 10.102; 11.747
115.05; 90.332; 100.638
543.7Tothadi, Srinu; Desiraju, Gautam R.
Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Crystal Growth & Design, 2012, 12, 6188
4507095 CIFC10.5 H13 N O4C 1 2/c 117.535; 5.0774; 24.296
90; 102.752; 90
2109.8Tothadi, Srinu; Desiraju, Gautam R.
Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Crystal Growth & Design, 2012, 12, 6188
4507096 CIFC12 H18 N O5P 1 21/c 112.049; 5.0649; 23.609
90; 115.675; 90
1298.5Tothadi, Srinu; Desiraju, Gautam R.
Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Crystal Growth & Design, 2012, 12, 6188
4507097 CIFC9 H11 N O5P -17.038; 7.257; 10.452
97.4; 108.96; 97.8
491.6Tothadi, Srinu; Desiraju, Gautam R.
Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Crystal Growth & Design, 2012, 12, 6188
4507098 CIFC7 H8 N O2.5P 1 21/c 116.685; 9.355; 9.079
90; 100.796; 90
1392Tothadi, Srinu; Desiraju, Gautam R.
Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Crystal Growth & Design, 2012, 12, 6188
4507099 CIFC11 H11 N O6P 1 21/c 18.17; 12.268; 11.354
90; 91.004; 90
1137.8Tothadi, Srinu; Desiraju, Gautam R.
Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Crystal Growth & Design, 2012, 12, 6188
4507100 CIFC7 H7 N O2P 1 21 17.91; 5.274; 8.451
90; 108.78; 90
333.78Tothadi, Srinu; Desiraju, Gautam R.
Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
Crystal Growth & Design, 2012, 12, 6188
4507101 CIFC12 H12 Ag2 O14 P4 UP 1 21/m 16.3558; 20.655; 7.8807
90; 92.286; 90
1033.7Adelani, Pius O.; Albrecht-Schmitt, Thomas E.
Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates
Crystal Growth & Design, 2012, 12, 5800
4507102 CIFC6 H5 Cs O8 P2 UP 1 21/n 15.5196; 15.681; 14.5816
90; 99.321; 90
1245.4Adelani, Pius O.; Albrecht-Schmitt, Thomas E.
Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates
Crystal Growth & Design, 2012, 12, 5800
4507103 CIFC12 H8 Ba O27 P4 U3P -19.5213; 10.5817; 18.3319
95.927; 99.681; 114.194
1630Adelani, Pius O.; Albrecht-Schmitt, Thomas E.
Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates
Crystal Growth & Design, 2012, 12, 5800
4507104 CIFC6 H4 O15 P2 Sr U2C m c m7.119; 14.1051; 17.698
90; 90; 90
1777.1Adelani, Pius O.; Albrecht-Schmitt, Thomas E.
Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates
Crystal Growth & Design, 2012, 12, 5800
4507105 CIFC10 H7 Br N4 O6P -17.6597; 13.4779; 13.7575
117.048; 90.413; 90.972
1264.6Aakeröy, Christer B.; Hurley, Evan P.; Desper, John
Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform
Crystal Growth & Design, 2012, 12, 5806
4507106 CIFC11 H8 I N3 O2P -16.7767; 8.0047; 11.1806
83.315; 77.745; 85.862
587.94Aakeröy, Christer B.; Hurley, Evan P.; Desper, John
Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform
Crystal Growth & Design, 2012, 12, 5806
4507107 CIFC10 H7 I N4 O6P -110.1937; 11.2088; 13.1357
111.112; 108.116; 92.381
1310.62Aakeröy, Christer B.; Hurley, Evan P.; Desper, John
Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform
Crystal Growth & Design, 2012, 12, 5806
4507108 CIFC13 H15 Cl N2 O4P c a 2112.8138; 7.2047; 15.2522
90; 90; 90
1408.08Aakeröy, Christer B.; Hurley, Evan P.; Desper, John
Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform
Crystal Growth & Design, 2012, 12, 5806
4507109 CIFC12 H11 Cl N4 O6P 1 21/c 16.4021; 7.8731; 28.0067
90; 90.195; 90
1411.65Aakeröy, Christer B.; Hurley, Evan P.; Desper, John
Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform
Crystal Growth & Design, 2012, 12, 5806
4507110 CIFC12 H11 Br N4 O6P 21 21 216.4192; 8.0239; 28.206
90; 90; 90
1452.8Aakeröy, Christer B.; Hurley, Evan P.; Desper, John
Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform
Crystal Growth & Design, 2012, 12, 5806
4507111 CIFC17 H18 Cl2 N6 O6P -19.3369; 10.489; 11.923
77.852; 75.218; 68.606
1042.3Aakeröy, Christer B.; Hurley, Evan P.; Desper, John
Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform
Crystal Growth & Design, 2012, 12, 5806
4507112 CIFC12 H11 I N4 O6P -17.1993; 7.8251; 13.4055
93.999; 90.564; 96.99
747.64Aakeröy, Christer B.; Hurley, Evan P.; Desper, John
Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform
Crystal Growth & Design, 2012, 12, 5806
4507113 CIFC17 H12 Cl4 N2 O4P -17.7111; 9.6247; 14.275
73.355; 89.353; 68.778
941.1Aakeröy, Christer B.; Hurley, Evan P.; Desper, John
Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform
Crystal Growth & Design, 2012, 12, 5806
4507114 CIFC17 H12 N6 O12P 1 c 17.1717; 13.2773; 20.7542
90; 92.463; 90
1974.4Aakeröy, Christer B.; Hurley, Evan P.; Desper, John
Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform
Crystal Growth & Design, 2012, 12, 5806
4507115 CIFC12 H14 N4 O7P 1 21/c 18.6114; 6.2504; 27.4741
90; 94.822; 90
1473.55Aakeröy, Christer B.; Hurley, Evan P.; Desper, John
Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform
Crystal Growth & Design, 2012, 12, 5806
4507116 CIFC32 H28 Mn O10P -14.6472; 11.672; 13.456
90.036; 97.87; 97.971
715.9Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng
Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework
Crystal Growth & Design, 2012, 12, 6215
4507117 CIFC68 H80 Cd1.5 N4 O16P -115.489; 16.205; 16.439
72.801; 70.522; 68.048
3538.3Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng
Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework
Crystal Growth & Design, 2012, 12, 6215
4507118 CIFC32 H25.32 Co O8.67R -3 :H18.1473; 18.1473; 36.182
90; 90; 120
10319.2Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng
Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework
Crystal Growth & Design, 2012, 12, 6215
4507119 CIFC32 H28 Co O13C 1 2/c 136.419; 13.1869; 8.1455
90; 100.045; 90
3851.9Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng
Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework
Crystal Growth & Design, 2012, 12, 6215
4507120 CIFC32 H28 Ni O11C 1 2/c 136.622; 13.41; 7.948
90; 99.958; 90
3844.5Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng
Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework
Crystal Growth & Design, 2012, 12, 6215
4507121 CIFC22 H18 N2 O2 S2P -112.2288; 12.4347; 13.5116
92.751; 109.419; 106.704
1832.4Murata, Tsuyoshi; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi
Nucleobase-Functionalized 1,6-Dithiapyrene-Type Electron-Donors: Supramolecular Assemblies by Complementary Hydrogen-Bonds and π-Stacks
Crystal Growth & Design, 2012, 12, 5815
4507122 CIFC23 H20 Cl2 N2 O2 S2P 1 21/n 111.105; 8.731; 23.51
90; 98.59; 90
2254Murata, Tsuyoshi; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi
Nucleobase-Functionalized 1,6-Dithiapyrene-Type Electron-Donors: Supramolecular Assemblies by Complementary Hydrogen-Bonds and π-Stacks
Crystal Growth & Design, 2012, 12, 5815
4507123 CIFC22 H19 N3 O S2P 1 21/n 112.5214; 9.925; 16.9895
90; 111.766; 90
1960.8Murata, Tsuyoshi; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi
Nucleobase-Functionalized 1,6-Dithiapyrene-Type Electron-Donors: Supramolecular Assemblies by Complementary Hydrogen-Bonds and π-Stacks
Crystal Growth & Design, 2012, 12, 5815
4507124 CIFC23 H23 N5 O2 S2P 1 21/c 120.0919; 4.82854; 22.4026
90; 101.226; 90
2131.79Murata, Tsuyoshi; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi
Nucleobase-Functionalized 1,6-Dithiapyrene-Type Electron-Donors: Supramolecular Assemblies by Complementary Hydrogen-Bonds and π-Stacks
Crystal Growth & Design, 2012, 12, 5815
4507125 CIFC30 H28 Cl2 N4 OP -110.0842; 12.0695; 12.6613
75.278; 66.588; 69.051
1309.3Bolla, Geetha; Nangia, Ashwini
Clofazimine Mesylate: A High Solubility Stable Salt
Crystal Growth & Design, 2012, 12, 6250
4507126 CIFC33 H27 Cl2 N5 O2P -19.8153; 12.1738; 15.2122
72.455; 77.844; 66.479
1580.6Bolla, Geetha; Nangia, Ashwini
Clofazimine Mesylate: A High Solubility Stable Salt
Crystal Growth & Design, 2012, 12, 6250
4507127 CIFC31 H26 Cl2 N4 O4P 1 21/n 111.2549; 20.816; 12.519
90; 103.413; 90
2853Bolla, Geetha; Nangia, Ashwini
Clofazimine Mesylate: A High Solubility Stable Salt
Crystal Growth & Design, 2012, 12, 6250
4507128 CIFC30 H26 Cl2 N4 O4P -19.8401; 12.4069; 13.0576
74.129; 70.3; 67.52
1367.5Bolla, Geetha; Nangia, Ashwini
Clofazimine Mesylate: A High Solubility Stable Salt
Crystal Growth & Design, 2012, 12, 6250
4507129 CIFC28 H28 Cl2 N4 O4 SP -19.5945; 11.0456; 14.4628
110.173; 95.859; 94.929
1419.1Bolla, Geetha; Nangia, Ashwini
Clofazimine Mesylate: A High Solubility Stable Salt
Crystal Growth & Design, 2012, 12, 6250
4507130 CIFC33 H27 Cl2 N5 O2P -111.6032; 15.361; 18.733
111.337; 91.28; 109.295
2896.5Bolla, Geetha; Nangia, Ashwini
Clofazimine Mesylate: A High Solubility Stable Salt
Crystal Growth & Design, 2012, 12, 6250
4507131 CIFC34 H28 Cl2 N4 O3P -110.8702; 11.2066; 13.8272
82.354; 88.96; 63.492
1492.31Bolla, Geetha; Nangia, Ashwini
Clofazimine Mesylate: A High Solubility Stable Salt
Crystal Growth & Design, 2012, 12, 6250
4507132 CIFC28 H26 Cl2 N4 O3 SP 1 21/n 110.0229; 17.772; 15.592
90; 103.028; 90
2705.9Bolla, Geetha; Nangia, Ashwini
Clofazimine Mesylate: A High Solubility Stable Salt
Crystal Growth & Design, 2012, 12, 6250
4507133 CIFC20 Cu F6 Hf N4 O2.5P n a 2120.542; 14.8692; 15.0844
90; 90; 90
4607.4Gautier, Romain; Norquist, Alexander J.; Poeppelmeier, Kenneth R.
From Racemic Units to Polar Materials
Crystal Growth & Design, 2012, 12, 6267
4510842 CIFC12 H10 O2R -3 :H29.022; 29.022; 5.8586
90; 90; 120
4273.5Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.
4-Phenoxyphenol: A Porous Molecular Material
Crystal Growth & Design, 2012, 12, 1746
4510843 CIFC12 H10 O2R -3 :H29.0335; 29.0335; 5.841
90; 90; 120
4264Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.
4-Phenoxyphenol: A Porous Molecular Material
Crystal Growth & Design, 2012, 12, 1746
4510844 CIFC12 H10 O2R -3 :H29.0243; 29.0243; 5.8381
90; 90; 120
4259.2Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.
4-Phenoxyphenol: A Porous Molecular Material
Crystal Growth & Design, 2012, 12, 1746
4510845 CIFC12.33 H10.5 N0.17 O2R -3 :H28.785; 28.785; 5.987
90; 90; 120
4296Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.
4-Phenoxyphenol: A Porous Molecular Material
Crystal Growth & Design, 2012, 12, 1746
4510846 CIFC12 H10 O2R -3 :H29.0154; 29.0154; 5.8446
90; 90; 120
4261.3Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.
4-Phenoxyphenol: A Porous Molecular Material
Crystal Growth & Design, 2012, 12, 1746
4510847 CIFC12 H10 O2R -3 :H28.995; 28.995; 5.945
90; 90; 120
4328.4Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.
4-Phenoxyphenol: A Porous Molecular Material
Crystal Growth & Design, 2012, 12, 1746
4510848 CIFC6 H7 Br Cl NP c a 2116.1551; 5.5958; 8.4538
90; 90; 90
764.23Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.
Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy
Crystal Growth & Design, 2012, 12, 1641
4510849 CIFC6 H9 Cl I N OP 1 21/n 17.6485; 6.6434; 17.5487
90; 91.354; 90
891.44Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.
Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy
Crystal Growth & Design, 2012, 12, 1641
4510850 CIFC6 H9 Br I N OP 1 21/n 17.8293; 6.7808; 17.7752
90; 92.651; 90
942.66Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.
Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy
Crystal Growth & Design, 2012, 12, 1641
4510851 CIFC6 H7 Br Cl NP c a 2115.606; 5.4026; 8.7865
90; 90; 90
740.82Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.
Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy
Crystal Growth & Design, 2012, 12, 1641
4510853 CIFC53 H72 O4P 19.2626; 9.797; 13.9686
88.588; 73.393; 68.374
1124.57Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin
Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents
Crystal Growth & Design, 2012, 12, 2445
4510854 CIFC57 H78 N2 O4P 1 21 19.5629; 11.0734; 23.6751
90; 97.364; 90
2486.37Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin
Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents
Crystal Growth & Design, 2012, 12, 2445
4510855 CIFC55 H76 N2 O4P 1 21 19.7348; 11.0149; 23.2365
90; 96.505; 90
2475.6Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin
Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents
Crystal Growth & Design, 2012, 12, 2445
4510856 CIFC63 H82 Br N3 O4P 1 c 110.0975; 23.5055; 12.3564
90; 100.877; 90
2880.06Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin
Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents
Crystal Growth & Design, 2012, 12, 2445
4510857 CIFC54 H78 O12P 1 c 115.3033; 16.0086; 11.7349
90; 110.679; 90
2689.6Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin
Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents
Crystal Growth & Design, 2012, 12, 2445
4510858 CIFC58 H80 N4 O4P -19.8931; 10.4773; 14.153
103.77; 92.73; 106.487
1355.77Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin
Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents
Crystal Growth & Design, 2012, 12, 2445
4510859 CIFC60 H86 O9P 1 21/c 118.4188; 23.1823; 26.0905
90; 91.299; 90
11137.5Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin
Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents
Crystal Growth & Design, 2012, 12, 2445
4517035 CIFC20 H24 N2 O10P -17.1418; 7.6788; 10.5822
73.72; 81.906; 67.038
512.6Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions
Crystal Growth & Design, 2012, 12, 4880
4517036 CIFC32 H32 N4 O8P -110.721; 12.274; 12.704
79.037; 88.21; 64.41
1477.8Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions
Crystal Growth & Design, 2012, 12, 4880
4517037 CIFC20 H22 N2 O10P -16.0716; 9.41; 10.012
64.52; 78.8; 80.197
504.12Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions
Crystal Growth & Design, 2012, 12, 4880
4517038 CIFC20 H22 N2 O10P -17.1154; 7.6589; 10.6261
73.925; 82.258; 66.876
511.51Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions
Crystal Growth & Design, 2012, 12, 4880
4517039 CIFC20 H22 N2 O10P -18.31; 8.561; 13.769
85.77; 89.028; 84.406
972.19Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions
Crystal Growth & Design, 2012, 12, 4880
4517040 CIFC16 H14 N2 O4P 1 21/c 17.0584; 10.8433; 18.2878
90; 94.893; 90
1394.58Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions
Crystal Growth & Design, 2012, 12, 4880
4517041 CIFC20 H18 N2 O8P -17.932; 11.302; 11.3062
110.446; 103.648; 93.794
910.5Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions
Crystal Growth & Design, 2012, 12, 4880
4517043 CIFC17 H17 N2 O4.5P -110.4956; 11.1647; 18.176
86.743; 76.427; 64.585
1867.7Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions
Crystal Growth & Design, 2012, 12, 4880
4517044 CIFC34 H48 N2 O4P -18.1128; 11.0482; 17.788
89.267; 79.228; 78.377
1533.6Khorasani, Sanaz; Fernandes, Manuel A.; Perry, Christopher B.
Do 12-Membered Cycloalkane Rings Only Exist As One Conformation in the Solid-State? A Detailed Solid-State Analysis Involving Polymorphs of N,N′-Biscyclododecyl Pyromellitic Diimide
Crystal Growth & Design, 2012, 12, 5908
4517045 CIFC34 H48 N2 O4C 1 2/c 119.5309; 10.1243; 17.5617
90; 121.951; 90
2946.5Khorasani, Sanaz; Fernandes, Manuel A.; Perry, Christopher B.
Do 12-Membered Cycloalkane Rings Only Exist As One Conformation in the Solid-State? A Detailed Solid-State Analysis Involving Polymorphs of N,N′-Biscyclododecyl Pyromellitic Diimide
Crystal Growth & Design, 2012, 12, 5908
4517046 CIFC9 H11 N O2P 1 21/n 15.0512; 12.027; 14.251
90; 96.774; 90
859.7Back, Kevin R.; Davey, Roger J.; Grecu, Tudor; Hunter, Christopher A.; Taylor, Lynne S.
Molecular Conformation and Crystallization: The Case of Ethenzamide
Crystal Growth & Design, 2012, 12, 6110
4517047 CIFC9 H11 N O2P 1 21/n 15.0339; 11.8782; 14.1229
90; 96.59; 90
838.88Back, Kevin R.; Davey, Roger J.; Grecu, Tudor; Hunter, Christopher A.; Taylor, Lynne S.
Molecular Conformation and Crystallization: The Case of Ethenzamide
Crystal Growth & Design, 2012, 12, 6110
4517048 CIFC16 H17 N O6P 1 21/n 17.3241; 13.5843; 14.8048
90; 95.715; 90
1465.6Back, Kevin R.; Davey, Roger J.; Grecu, Tudor; Hunter, Christopher A.; Taylor, Lynne S.
Molecular Conformation and Crystallization: The Case of Ethenzamide
Crystal Growth & Design, 2012, 12, 6110
4517049 CIFC16 H15 Cl2 N O4P 1 21/c 114.9456; 14.5611; 7.7198
90; 103.794; 90
1631.56Back, Kevin R.; Davey, Roger J.; Grecu, Tudor; Hunter, Christopher A.; Taylor, Lynne S.
Molecular Conformation and Crystallization: The Case of Ethenzamide
Crystal Growth & Design, 2012, 12, 6110
4517050 CIFC16 H34 B20 Cl2 Co N2 O2P c c a21.559; 13.4149; 11.4446
90; 90; 90
3309.9Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria
Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes
Crystal Growth & Design, 2012, 12, 5720
4517051 CIFC18 H42 B20 Cl2 Co N2 O4P c c n18.545; 13.04; 14.563
90; 90; 90
3521.7Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria
Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes
Crystal Growth & Design, 2012, 12, 5720
4517052 CIFC16 H34 B20 Cl2 Co N2 O2C 1 2/c 121.4535; 12.1851; 12.9133
90; 112.726; 90
3113.63Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria
Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes
Crystal Growth & Design, 2012, 12, 5720
4517053 CIFC36 H62 B20 Cl2 Co N2 O6P 1 21/c 117.5338; 28.8699; 10.3153
90; 101.881; 90
5109.7Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria
Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes
Crystal Growth & Design, 2012, 12, 5720
4517054 CIFC20 H44 B20 Cl2 Co N2 O3P n a 2114.4006; 22.0313; 23.8677
90; 90; 90
7572.4Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria
Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes
Crystal Growth & Design, 2012, 12, 5720
4517055 CIFC26 H42 B20 Cl2 Co N2 O2P -111.7395; 12.3117; 14.875
76.758; 76.878; 64.632
1870.56Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria
Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes
Crystal Growth & Design, 2012, 12, 5720
4517056 CIFC36 H80 B40 Cl2 Co N4 O6C 1 2/c 131.214; 15.642; 13.545
90; 93.772; 90
6599Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria
Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes
Crystal Growth & Design, 2012, 12, 5720
4517057 CIFC16 H32 B20 Co N2 O2P 1 21/c 110.9367; 10.1603; 13.3471
90; 111.161; 90
1383.12Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria
Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes
Crystal Growth & Design, 2012, 12, 5720
4517058 CIFC14 H20 B9 Co N2 O3P -19.357; 9.914; 10.463
96.53; 94.002; 103.836
931.6Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria
Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes
Crystal Growth & Design, 2012, 12, 5720

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