Crystallography Open Database

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4131940 CIFC67 H116 Ce I2 Li N6 O2P 1 21/n 120.8203; 15.8035; 20.8531
90; 90.547; 90
6861.1Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.
Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.
Journal of the American Chemical Society, 2018, 140, 4588-4595
4131941 CIFC81 H132 Ce N9R 3 c :H44.203; 44.203; 26.08
90; 90; 120
44131Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.
Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.
Journal of the American Chemical Society, 2018, 140, 4588-4595
4131942 CIFC20 H22 Cl F3 N2 OP 21 21 218.998; 11.5663; 17.6674
90; 90; 90
1838.71Ye, Ke-Yin; Pombar, Gisselle; Fu, Niankai; Sauer, Gregory S.; Keresztes, Ivan; Lin, Song
Anodically Coupled Electrolysis for the Heterodifunctionalization of Alkenes.
Journal of the American Chemical Society, 2018, 140, 2438-2441
4131943 CIFC20 H20 N2 O4P 21 21 219.64769; 11.43518; 15.03401
90; 90; 90
1658.6Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131944 CIFC23 H26 N2 O7P -18.161; 10.276; 13.734
102.45; 97.861; 112.29
1009.7Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131945 CIFC24 H26 N2 O7P -16.8694; 10.0331; 15.3665
81.1902; 88.6152; 89.8076
1046.28Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131946 CIFC20 H16 Br3 N4 RuP -17.2777; 8.2938; 9.0157
77.686; 83.158; 69.733
498.14Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131947 CIFC22 H24 N2 O5P 1 21/n 18.7314; 18.821; 11.6512
90; 102.367; 90
1870.26Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131948 CIFC49.5 H55 N4 O12.5 S2C 1 2 145.773; 7.9396; 13.4558
90; 97.262; 90
4850.87Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131949 CIFC23 H26 N2 O6P 1 21/n 112.0865; 13.2673; 13.6282
90; 115.234; 90
1976.81Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131950 CIFC24 H30 N2 O6P 1 21/n 110.9813; 8.0063; 24.4059
90; 98.934; 90
2119.72Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131951 CIFC21 H20 N2 O5P -17.2219; 9.354; 13.497
84.894; 85.225; 68.613
844.3Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131952 CIFC24 H28 N2 O6P -17.9625; 10.842; 12.972
74.54; 74.559; 87.974
1039.6Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131953 CIFC24 H26 N2 O7A e a 213.6713; 37.374; 8.2094
90; 90; 90
4194.6Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131954 CIFC21 H20.18 N2 O5.09P 21 21 217.84898; 14.47011; 15.52093
90; 90; 90
1762.8Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131955 CIFC22 H24 Cl2 N2 O4P -17.3663; 11.4058; 12.1822
85.2854; 81.2598; 85.079
1005.43Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131956 CIFC23 H27 Cl3 N2 O6P 1 21/n 111.221; 7.2383; 29.137
90; 96.855; 90
2349.6Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131957 CIFC170 H142 Cl4 N8 O18.66667C 1 2 147.826; 21.1891; 27.0097
90; 94.628; 90
27282Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin
Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.
Journal of the American Chemical Society, 2018, 140, 2769-2772
4131958 CIFC52 H40 O4P 21 21 216.5343; 17.9861; 32.523
90; 90; 90
3822.3Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin
Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.
Journal of the American Chemical Society, 2018, 140, 2769-2772
4131959 CIFC30 H16P 21 21 215.146; 18.162; 20.254
90; 90; 90
1892.97Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin
Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.
Journal of the American Chemical Society, 2018, 140, 2769-2772
4131960 CIFC171.33333 H144.66667 Cl6.66667 N8 O24C 1 2 147.641; 21.1704; 27.0403
90; 94.904; 90
27172Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin
Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.
Journal of the American Chemical Society, 2018, 140, 2769-2772
4131961 CIFC12 H13 N3 O6 SP 1 21/c 17.4332; 8.2644; 22.734
90; 96.542; 90
1387.5Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131962 CIFC27 H30 N4 O11 S2P -110.817; 11.154; 13.163
92.607; 112.415; 92.17
1464Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131963 CIFC16 H15 N5 O5 SP -17.0021; 9.7512; 13.0986
70.369; 88.781; 82.494
834.91Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131964 CIFC12 H13 N3 O5 SP 1 21/n 17.3537; 14.8454; 12.3215
90; 94.038; 90
1341.78Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131965 CIFC18 H21 N5 O8 S2P b c a10.4132; 13.5716; 29.547
90; 90; 90
4175.69Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131966 CIFC12 H14 N4 O8 SP 1 21/c 17.017; 17.287; 12.578
90; 94.34; 90
1521.4Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131967 CIFC18 H23 N5 O6 S2I 1 2/a 111.6451; 8.0014; 22.6883
90; 91.37; 90
2113.4Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131968 CIFC16 H26 N5 O8 S2P -19.9888; 10.2796; 12.3288
68.939; 79.698; 69.115
1101.9Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131969 CIFC16 H17 N7 O10 S2P -17.7154; 11.5739; 12.5866
68.866; 83.563; 82.184
1036.19Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131970 CIFC58 H64 N4 O13 S4C 1 2/c 126.738; 7.081; 30.146
90; 90.53; 90
5707.4Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131971 CIFC26 H26 N4 O12 S2P -16.0303; 9.721; 12.4638
98.012; 94.549; 97.848
713.12Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131972 CIFC20 H23 N3 O5 SP 1 21/n 114.5751; 7.3814; 18.0511
90; 92.517; 90
1940.15Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131973 CIFC26 H28 N2 O8 S2P 1 21/n 15.7205; 20.45; 11.7153
90; 102.871; 90
1336.1Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131974 CIFC24 H22 N4 O12 S2P 1 21/n 112.9855; 7.3929; 13.8095
90; 100.742; 90
1302.49Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131975 CIFC24 H26 N2 O9 S2P -17.7042; 12.1758; 13.3268
84.238; 89.648; 83.067
1234.68Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131976 CIFC24 H26 N2 O11 S2P 1 21/c 112.9248; 7.3758; 26.709
90; 91.338; 90
2545.49Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131977 CIFC28 H32 N2 O8 S2C 1 2/c 121.8681; 5.6881; 23.3203
90; 101.161; 90
2845.9Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131978 CIFC10 H12 N O4 SP 1 21/c 18.124; 5.7011; 23.0661
90; 93.074; 90
1066.79Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131979 CIFC10 H12 N O3 SP 1 21/n 18.8901; 7.0512; 16.8721
90; 95.229; 90
1053.24Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131980 CIFC10 H11 N2 O5 SI 1 2/a 117.884; 6.712; 19.8456
90; 112.723; 90
2197.3Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131981 CIFC28 H32 N2 O8 S2C 1 2/c 127.044; 6.9584; 15.834
90; 118.16; 90
2627Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131982 CIFC28 H32 N2 O6 S2C 1 2/c 115.3959; 7.2509; 23.9608
90; 92.573; 90
2672.1Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131983 CIFC30 H36 N2 O6 S2P 1 21/n 119.9706; 7.039; 21.9707
90; 113.547; 90
2831.3Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131984 CIFC28 H32 N4 O11 S2P -110.6823; 11.4435; 13.2985
87.212; 70.525; 81.733
1516.7Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131985 CIFC10 H11 Cl N O3 SP 1 21/n 15.9637; 15.7025; 11.9733
90; 95.124; 90
1116.76Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131986 CIFC9 H9 Cl N O4 SP 1 21/c 18.1551; 5.7169; 22.5197
90; 94.011; 90
1047.34Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131987 CIFC21 H21 Cl3 N3 O6 S2P -110.1766; 10.7552; 12.5205
95.045; 109.245; 102.571
1243.69Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131988 CIFC12 H11 Cl2 N3 O5 SC 1 2/c 122.1231; 7.2432; 19.3126
90; 100.197; 90
3045.81Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145
4131989 CIFC13 H14 Cl N3 O5 SP 1 21/c 17.2666; 14.9473; 15.224
90; 99.744; 90
1629.7Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul
Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 5138-5145

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