Crystallography Open Database

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1552793 CIFC67 H8 Cl2C 1 2/c 120.8431; 17.181; 9.9614
90; 107.503; 90		3402.1Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M.
Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules.
The journal of physical chemistry. A, 2018, 122, 9626-9636
1552794 CIFC17 H32 N2 O5P 1 21 19.8681; 17.5; 12.2922
90; 102.706; 90		2070.8Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.
Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.
The journal of physical chemistry. A, 2018, 122, 3665-3679
1552795 CIFC32 H62 N4 O8P 1 21 110.3122; 10.9803; 16.8121
90; 106.622; 90		1824.1Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.
Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.
The journal of physical chemistry. A, 2018, 122, 3665-3679
1552796 CIFC19 H36 N2 O5P 21 21 215.2149; 15.0953; 27.017
90; 90; 90		2126.8Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.
Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.
The journal of physical chemistry. A, 2018, 122, 3665-3679
1552797 CIFC25 H47 N3 O6P 1 21 110.2236; 12.3246; 12.3403
90; 109.388; 90		1466.7Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.
Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.
The journal of physical chemistry. A, 2018, 122, 3665-3679
1552798 CIFC23 H43 N3 O6P 21 21 219.4237; 15.9868; 17.3878
90; 90; 90		2619.56Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.
Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.
The journal of physical chemistry. A, 2018, 122, 3665-3679
1552799 CIFC8 H5 N3P -13.8354; 9.2168; 9.8872
104.868; 96.052; 96.718		332.14Tu, Ting-Husn; Chen, Yi-Ting; Shen, Jiun-Yi; Lin, Ta-Chun; Chou, Pi-Tai
Excited-State Proton Transfer in 3-Cyano-7-azaindole: From Aqueous Solution to Ice.
The journal of physical chemistry. A, 2018, 122, 2479-2484
1552800 CIFC17 H15 B2 N O4P 1 21/c 112.6209; 10.7943; 12.6367
90; 113.005; 90		1584.63Jarzembska, Katarzyna N.; Kamiński, Radosław; Durka, Krzysztof; Woźniak, Krzysztof
Ground-State Charge-Density Distribution in a Crystal of the Luminescent ortho-Phenylenediboronic Acid Complex with 8-Hydroxyquinoline.
The journal of physical chemistry. A, 2018, 122, 4508-4520
1552801 CIFC16 H16 N4 OP 1 21/c 112.8697; 9.3437; 12.2616
90; 112.405; 90		1363.16Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei
Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles.
The journal of physical chemistry. A, 2018, 122, 2956-2973
1552802 CIFC14 H11 N3 O2P 1 21/c 111.6708; 11.9674; 8.2434
90; 90.678; 90		1151.27Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei
Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles.
The journal of physical chemistry. A, 2018, 122, 2956-2973
1552803 CIFC16 H16 N4 OP -113.2955; 13.5219; 16.0082
88.6723; 77.3876; 86.5291		2803.2Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei
Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles.
The journal of physical chemistry. A, 2018, 122, 2956-2973
1552804 CIFC76 H62 N16 O3 Si4P 1 21/c 112.5454; 24.231; 22.154
90; 94.923; 90		6709.7Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.
Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.
The journal of physical chemistry. A, 2019, 123, 471-481
1552805 CIFC104 H118 N16 O3 Si4P -113.7746; 16.2985; 21.2476
75.374; 84.152; 87.724		4591.1Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.
Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.
The journal of physical chemistry. A, 2019, 123, 471-481
1552806 CIFC80 H70 N16 O3 Si4C 1 2/c 126.352; 13.764; 24.745
90; 130.07; 90		6868Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.
Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.
The journal of physical chemistry. A, 2019, 123, 471-481
1552807 CIFC104 H70 Cl4 N16 O3 Si4C 1 2/c 118.5232; 18.343; 25.6005
90; 99.368; 90		8582.3Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.
Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.
The journal of physical chemistry. A, 2019, 123, 471-481
1552808 CIFC82 H74 N16 O3 Si4P 1 21/c 113.076; 23.344; 23.162
90; 90.104; 90		7070Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.
Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.
The journal of physical chemistry. A, 2019, 123, 471-481
1552809 CIFC77 H58 N16 O3 Si4P b c a17.2401; 19.3123; 41.135
90; 90; 90		13695.7Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.
Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.
The journal of physical chemistry. A, 2019, 123, 471-481
1552810 CIFC76 H62 N16 O3 Si4C 1 2/c 122.589; 13.581; 23.268
90; 113.211; 90		6560Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.
Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.
The journal of physical chemistry. A, 2019, 123, 471-481
1552811 CIFC88 H86 N16 O3 Si4P -113.7795; 22.43; 26.079
77.793; 81.704; 76.746		7629.3Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.
Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.
The journal of physical chemistry. A, 2019, 123, 471-481
1552812 CIFC74 H58 N16 O3 Si4C 1 2/c 114.531; 19.058; 23.065
90; 99.2; 90		6305Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.
Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.
The journal of physical chemistry. A, 2019, 123, 471-481
1552813 CIFC88 H86 N16 O3 Si4P 1 21/n 112.5819; 28.9066; 21.881
90; 99.664; 90		7845.2Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.
Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.
The journal of physical chemistry. A, 2019, 123, 471-481
1553992 CIFC16 H19 I N4 O4P -17.0211; 8.3237; 15.1967
86.651; 85.306; 89.485		883.62Rosokha, Sergiy V.; Loboda, Eric A.
Interplay of Halogen and π-π Charge-Transfer Bondings in Intermolecular Associates of Bromo- or Iododinitrobenzene with Tetramethyl-p-phenylenediamine.
The journal of physical chemistry. A, 2015, 119, 3833-3842
1553993 CIFC16 H19 Br N4 O4P -16.9478; 8.2799; 15.0522
94.6594; 93.2402; 90.2781		861.63Rosokha, Sergiy V.; Loboda, Eric A.
Interplay of Halogen and π-π Charge-Transfer Bondings in Intermolecular Associates of Bromo- or Iododinitrobenzene with Tetramethyl-p-phenylenediamine.
The journal of physical chemistry. A, 2015, 119, 3833-3842
1553994 CIFC18 H18 B Cl N2 O3P 1 21/n 17.7528; 19.1764; 11.3962
90; 93.209; 90		1691.63Golub, Igor E.; Gulyaeva, Ekaterina S.; Filippov, Oleg A.; Dyadchenko, Victor P.; Belkova, Natalia V.; Epstein, Lina M.; Arkhipov, Dmitry E.; Shubina, Elena S.
Dihydrogen bond intermediated alcoholysis of dimethylamine-borane in nonaqueous media.
The journal of physical chemistry. A, 2015, 119, 3853-3868
1553995 CIFC10 H16 B F12 N O4P 1 21/n 19.4694; 13.2943; 14.0325
90; 90.038; 90		1766.5Golub, Igor E.; Gulyaeva, Ekaterina S.; Filippov, Oleg A.; Dyadchenko, Victor P.; Belkova, Natalia V.; Epstein, Lina M.; Arkhipov, Dmitry E.; Shubina, Elena S.
Dihydrogen bond intermediated alcoholysis of dimethylamine-borane in nonaqueous media.
The journal of physical chemistry. A, 2015, 119, 3853-3868
1553996 CIFC12 H25.95 Cd N6 O8.98P 1 21/c 112.1161; 29.0903; 11.0501
90; 92.127; 90		3892Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline
Models for Copper Dynamic Behavior in Doped Cadmium dl-Histidine Crystals: Electron Paramagnetic Resonance and Crystallographic Analysis.
The journal of physical chemistry. A, 2015, 119, 11119-11127
1553997 CIFC12 H25.8 Cd N6 O8.9P 1 21/c 112.2555; 29.4689; 11.1087
90; 92.396; 90		4008.5Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline
Models for Copper Dynamic Behavior in Doped Cadmium dl-Histidine Crystals: Electron Paramagnetic Resonance and Crystallographic Analysis.
The journal of physical chemistry. A, 2015, 119, 11119-11127
1553998 CIFC29 H21 Cl NP -19.9486; 10.079; 10.8072
100.318; 90.072; 96.899		1058.1Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K.
Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching.
The journal of physical chemistry. A, 2015, 119, 10481-10493
1553999 CIFC18 H14 O2P 1 21/c 17.2042; 15.6697; 12.5803
90; 91.753; 90		1419.5Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K.
Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching.
The journal of physical chemistry. A, 2015, 119, 10481-10493
1554000 CIFC18 H15 NP 1 21/c 19.872; 12.082; 12.46
90; 103.028; 90		1447.9Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K.
Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching.
The journal of physical chemistry. A, 2015, 119, 10481-10493
1554001 CIFC17 H12 OP 1 21/c 113.8324; 9.3533; 10.2395
90; 101.943; 90		1296.1Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K.
Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching.
The journal of physical chemistry. A, 2015, 119, 10481-10493
1554002 CIFC16 H24 N5 OP 1 21/n 15.89; 14.574; 19.326
90; 93.463; 90		1655.9Haller, Benjamin C.; Chambers, Dallas; Cheng, Ran; Chemistruck, Victoria; Hom, Timothy F.; Li, Zhengzheng; Nguyen, Jeffrey; Ichimura, Andrew; Brook, David J. R.
Oxidation of Electron Donor-Substituted Verdazyls: Building Blocks for Molecular Switches.
The journal of physical chemistry. A, 2015, 119, 10750-10760
1554003 CIFC17 H25 F3 N5 O4 SP 1 21/c 116.865; 13.1791; 19.9462
90; 90.015; 90		4433.35Haller, Benjamin C.; Chambers, Dallas; Cheng, Ran; Chemistruck, Victoria; Hom, Timothy F.; Li, Zhengzheng; Nguyen, Jeffrey; Ichimura, Andrew; Brook, David J. R.
Oxidation of Electron Donor-Substituted Verdazyls: Building Blocks for Molecular Switches.
The journal of physical chemistry. A, 2015, 119, 10750-10760
1554004 CIFC16 H24 N5 OP 1 21 18.054; 5.95; 17.507
90; 95.31; 90		835.4Haller, Benjamin C.; Chambers, Dallas; Cheng, Ran; Chemistruck, Victoria; Hom, Timothy F.; Li, Zhengzheng; Nguyen, Jeffrey; Ichimura, Andrew; Brook, David J. R.
Oxidation of Electron Donor-Substituted Verdazyls: Building Blocks for Molecular Switches.
The journal of physical chemistry. A, 2015, 119, 10750-10760
1554005 CIFC37 H24P n a 2113.7193; 16.2571; 11.2574
90; 90; 90		2510.81Kobin, Björn; Behren, Sandra; Braun-Cula, Beatrice; Hecht, Stefan
Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials.
The journal of physical chemistry. A, 2016, 120, 5474-5480
1554006 CIFC27 H22P n a 2112.1659; 21.9295; 7.1708
90; 90; 90		1913.11Kobin, Björn; Behren, Sandra; Braun-Cula, Beatrice; Hecht, Stefan
Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials.
The journal of physical chemistry. A, 2016, 120, 5474-5480
1554007 CIFC25 H16 OC m c 2134.7372; 6.7517; 7.1631
90; 90; 90		1680Kobin, Björn; Behren, Sandra; Braun-Cula, Beatrice; Hecht, Stefan
Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials.
The journal of physical chemistry. A, 2016, 120, 5474-5480
1554008 CIFC25 H16 F2P 1 21/m 19.6134; 19.636; 9.8168
90; 110.275; 90		1738.29Kobin, Björn; Behren, Sandra; Braun-Cula, Beatrice; Hecht, Stefan
Photochemical Degradation of Various Bridge-Substituted Fluorene-Based Materials.
The journal of physical chemistry. A, 2016, 120, 5474-5480
1554009 CIFC9 H8 O3P 21 21 215.8715; 9.4021; 13.3312
90; 90; 90		735.94Gianopoulos, Christopher G.; Zarychta, Bartosz; Cenedese, Simone; Zhurov, Vladimir V.; Pinkerton, A. Alan
Experimental and Theoretical Electron Density Determination for Two Norbornene Derivatives: Topological Analysis Provides Insights on Reactivity.
The journal of physical chemistry. A, 2016, 120, 4059-4070
1554010 CIFC8 H6 O4P 21 21 215.3018; 6.9265; 18.6795
90; 90; 90		685.97Gianopoulos, Christopher G.; Zarychta, Bartosz; Cenedese, Simone; Zhurov, Vladimir V.; Pinkerton, A. Alan
Experimental and Theoretical Electron Density Determination for Two Norbornene Derivatives: Topological Analysis Provides Insights on Reactivity.
The journal of physical chemistry. A, 2016, 120, 4059-4070
1554011 CIFC12 H14 F6 N O PP 1 21/c 16.294; 20.607; 11.2176
90; 96.233; 90		1446.33Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554012 CIFC16 H16 Br NP b c a16.082; 7.689; 22.68
90; 90; 90		2804.5Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554013 CIFC16 H16 Cl NP b c a15.898; 7.6343; 22.722
90; 90; 90		2757.8Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554014 CIFC12 H11 Br F3 NP 1 21/n 17.7226; 15.495; 10.3948
90; 97.226; 90		1233.98Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554015 CIFC12 H14 I N OF d d d :217.0726; 21.6048; 26.727
90; 90; 90		9858.3Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554016 CIFC18 H20 Br NP b c a16.3828; 8.1068; 24.499
90; 90; 90		3253.8Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554017 CIFC14 H12 Cl NP 1 21/c 15.3267; 12.3539; 17.375
90; 95.587; 90		1137.9Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554018 CIFC14 H12 I NP 1 21/c 15.5702; 12.2317; 17.8865
90; 97.608; 90		1207.93Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554019 CIFC11 H12 F6 N PP -16.9573; 8.2064; 11.7459
78.273; 85.744; 74.308		632.02Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554020 CIFC11 H12 I NP 1 21/c 17.4785; 17.1724; 8.742
90; 97.94; 90		1111.92Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554021 CIFC11 H14 Br N OP -17.9102; 8.4568; 9.3598
94.319; 104.239; 109.133		564.99Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554022 CIFC12 H16 Br N O2P 1 21/n 19.789; 12.5062; 10.3991
90; 91.746; 90		1272.5Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554023 CIFC16 H16 I NP b c a16.4326; 7.7795; 22.582
90; 90; 90		2886.8Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554024 CIFC14 H12 Br NP 1 21/c 15.4234; 12.2775; 17.5537
90; 96.458; 90		1161.41Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554025 CIFC12 H11 F3 I NP n m a15.8119; 7.3074; 11.4308
90; 90; 90		1320.76Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing
External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.
The journal of physical chemistry. A, 2016, 120, 5791-5797
1554026 CIFC H3 N3 O2 SP -15.624; 5.9498; 7.6329
72.216; 70.897; 88.601		229Deng, Guohai; Li, Dingqing; Wu, Zhuang; Li, Hongmin; Bernhardt, Eduard; Zeng, Xiaoqing
Methanesulfonyl Azide: Molecular Structure and Photolysis in Solid Noble Gas Matrices.
The journal of physical chemistry. A, 2016, 120, 5590-5597
1554027 CIFC18 H15 BiI 1 2/a 126.5617; 5.7076; 20.2096
90; 109.72; 90		2884.16Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon
Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth.
The journal of physical chemistry. A, 2016, 120, 6650-6669
1554028 CIFC50 H38P -3 c 125.335; 25.335; 9.7336
90; 90; 120		5410.6Hathwar, Venkatesha R.; Thomsen, Maja K.; Mamakhel, Mohammad Aref H.; Filsø, Mette Ø; Overgaard, Jacob; Iversen, Bo B.
Electron Density Analysis of the "O-O" Charge-Shift Bonding in Rubrene Endoperoxide.
The journal of physical chemistry. A, 2016, 120, 7510-7518
1554029 CIFC46 H35P -110.9977; 12.7275; 25.4982
76.418; 88.985; 66.708		3175.2Hathwar, Venkatesha R.; Thomsen, Maja K.; Mamakhel, Mohammad Aref H.; Filsø, Mette Ø; Overgaard, Jacob; Iversen, Bo B.
Electron Density Analysis of the "O-O" Charge-Shift Bonding in Rubrene Endoperoxide.
The journal of physical chemistry. A, 2016, 120, 7510-7518
1554030 CIFC46 H33 O2P 1 21/c 111.1827; 21.6777; 13.4109
90; 102.344; 90		3175.85Hathwar, Venkatesha R.; Thomsen, Maja K.; Mamakhel, Mohammad Aref H.; Filsø, Mette Ø; Overgaard, Jacob; Iversen, Bo B.
Electron Density Analysis of the "O-O" Charge-Shift Bonding in Rubrene Endoperoxide.
The journal of physical chemistry. A, 2016, 120, 7510-7518
1556096 CIFC17 H32 N2 O5P 2 21 2110.1695; 17.5711; 12.1157
90; 90; 90		2164.95Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N.
Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy.
The journal of physical chemistry. A, 2014, 118, 9568-9574
1556097 CIFC17 H32 N2 O5P 1 21 19.8681; 17.5; 12.2922
90; 102.706; 90		2070.8Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, Bhimareddy; Balaram, Padmanabhan; Guru Row, Tayur N.
Temperature-induced reversible first-order single crystal to single crystal phase transition in Boc-γ(4)(R)Val-Val-OH: interplay of enthalpy and entropy.
The journal of physical chemistry. A, 2014, 118, 9568-9574
1556919 CIFC13 H11 N3 O2R -3 :H24.5798; 24.5798; 11.7412
90; 90; 120		6143.3Desta, Israel Tilahun; Chizhik, Stanislav A.; Sidelnikov, Anatoli A.; Karothu, Durga Prasad; Boldyreva, Elena V.; Naumov, Pance
Mechanically Responsive Crystals: Analysis of Macroscopic Strain Reveals "Hidden" Processes.
The journal of physical chemistry. A, 2019
1557278 CIFC55 H68 D3 Eu N2 O6P 1 21/c 112.3206; 27.4776; 17.5732
90; 104.527; 90		5759Fishman, Natalya N.; Lukzen, Nikita N.; Ivanov, Konstantin L.; Edeleva, Mariya V.; Fokin, Sergey V.; Romanenko, Galina V.; Ovcharenko, Victor I.
Multifrequency NMR as an Efficient Tool to Investigate Heterospin Complexes in Solutions.
The journal of physical chemistry. A, 2020
1557560 CIFC8 H32 Cd0.96 Cu0.04 N6 O18 S2P 1 21/n 16.5584; 27.8708; 7.1955
90; 110.371; 90		1232.99Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline
Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate.
The journal of physical chemistry. A, 2020
1557561 CIFC8 H32 Cd0.96 Cu0.04 N6 O18 S2P 1 21/n 16.5282; 27.7012; 7.1557
90; 110.584; 90		1211.42Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline
Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate.
The journal of physical chemistry. A, 2020
1557662 CIFC9 H12 B N O3P b c a11.5309; 7.674; 21.8978
90; 90; 90		1937.7Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun
The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids.
The journal of physical chemistry. A, 2020
1557663 CIFC8 H10 B N O3P 1 21/c 14.98445; 24.1243; 7.0635
90; 98.767; 90		839.44Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun
The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids.
The journal of physical chemistry. A, 2020
1557664 CIFC7 H7 B O3I 1 a 17.1663; 9.8589; 9.865
90; 100.286; 90		685.78Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun
The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids.
The journal of physical chemistry. A, 2020
1557748 CIFC26 H15 N5 OP -19.2313; 9.3742; 11.8955
84.254; 67.426; 81.238		938.451Gryl, Marlena; Ostrowska, Katarzyna; Barquera-Lozada, Jose Enrique; Stadnicka, Katarzyna M.
Unveiling the Impact of Aggregation on Optical Anisotropy of Triazaacephenanthrylene Single Crystals. A Combined Quantum Crystallography and Conceptual Density Functional Theory Approach.
The journal of physical chemistry. A, 2020
1558471 CIFC45 H31 Cl3 N4P -19.6121; 14.2479; 14.6368
107.63; 101.505; 97.424		1833Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki
NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism.
The journal of physical chemistry. A, 2020
1558472 CIFC50 H44 N6 O2P -112.6211; 13.1779; 13.5455
98.691; 116.169; 92.716		1982.2Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki
NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism.
The journal of physical chemistry. A, 2020
1558473 CIFC48 H38 N4P 1 21/c 114.3901; 8.4196; 15.7484
90; 95.333; 90		1899.8Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki
NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism.
The journal of physical chemistry. A, 2020
1558474 CIFC44 H32 N4 OP -18.7618; 13.5724; 14.6798
74.067; 85.926; 73.962		1613.3Ishizuka, Tomoya; Sakashita, Ryuichi; Iwanaga, Osamu; Morimoto, Tatsuki; Mori, Shigeki; Ishida, Masatoshi; Toganoh, Motoki; Takegoshi, Kiyonori; Osuka, Atsuhiro; Furuta, Hiroyuki
NH Tautomerism of N-Confused Porphyrin: Solvent/Substituent Effects and Isomerization Mechanism.
The journal of physical chemistry. A, 2020
1558539 CIFC136 H112 Au8 Fe4 P8P -116.136; 19.7871; 23.2458
76.706; 73.016; 80.103		6864.3Li, Shuo Hao; Liu, Xu; Hu, Weigang; Chen, Mingyang; Zhu, Yan
An Au<sub>8</sub> Cluster Fortified by Four Ferrocenes.
The journal of physical chemistry. A, 2020, 124, 6061-6067
1558965 CIFC16 H18 O4P 1 21/c 111.484; 9.814; 12.602
90; 96.815; 90		1410.3Sarkar, Sujan K.; Ranaweera, R. A. A. Upul; Merugu, Rajkumar; Abdelaziz, Nayera M.; Robinson, Jendai E.; Day, Heidi A.; Krause, Jeanette A.; Gudmundsdottir, Anna D.
Comparison of the Photochemistry of Acyclic and Cyclic 4-(4-Methoxy-Phenyl)-4-Oxo-but-2-Enoate Ester Derivatives.
The journal of physical chemistry. A, 2020
1559334 CIFC78 H63 B F24 N2C 1 2/c 119.8956; 18.1458; 19.4211
90; 91.388; 90		7009.38Bot, Marek; Gorbachev, Vladimir M.; Tsybizova, Alexandra; Chen, Peter
Bond Dissociation Energies in the Gas Phase for Large Molecular Ions by Threshold Collision-Induced Dissociation Experiments: a Benchmarking Study.
The journal of physical chemistry. A, 2020
1559497 CIFC47 H44 B F2 N3P 1 21/n 113.5433; 14.4891; 20.497
90; 105.986; 90		3866.6Gangada, Suneel; Ramnagar, Ramya Athira; Sangolkar, Akanksha Ashok; Pawar, Ravinder; Nanubolu, Jagadeesh Babu; Roy, Partha; Giribabu, Lingamallu; Chitta, Raghu
Excitation-Wavelength-Dependent Light-Induced Electron Transfer and Twisted Intramolecular Charge Transfer in <i>N</i>,<i>N</i>-Bis(4'-<i>tert</i>-butylbiphenyl-4-yl)aniline Functionalized Borondipyrromethenes.
The journal of physical chemistry. A, 2020, 124, 9738-9750
1559699 CIFC243 H236 Ga32 N32 Na4 Nd4 O139P 1 21/c 119.9382; 18.4554; 44.8986
90; 92.964; 90		16499.1Salerno, Elvin V.; Eliseeva, Svetlana V.; Schneider, Bernadette L.; Kampf, Jeff W.; Petoud, Stéphane; Pecoraro, Vincent L.
Visible, Near-Infrared, and Dual-Range Luminescence Spanning the 4f Series Sensitized by a Gallium(III)/Lanthanide(III) Metallacrown Structure.
The journal of physical chemistry. A, 2020, 124, 10550-10564
1560748 CIFC12 H20 Cl2 N4 O2 SP 1 21/n 16.966; 20.504; 11.68
90; 98.372; 90		1650.5Takahashi, Masae; Kowada, Mitsuru; Matsui, Hiroshi; Kwon, Eunsang; Ikemoto, Yuka
Temperature-Dependent Low-Frequency Vibrations of Thiamine Crystal Containing Hydrated Ions.
The journal of physical chemistry. A, 2021, 125, 1837-1844
1560808 CIFC32 H28 N4 O4P 1 21/n 14.5196; 37.0928; 7.9294
90; 96.848; 90		1319.84Goodlett, Dustin W.; Sindt, Ammon J.; Hossain, Muhammad Saddam; Merugu, Rajkumar; Smith, Mark D.; Garashchuk, Sophya; Gudmundsdottir, Anna D.; Shimizu, Linda S.
From Incident Light to Persistent and Regenerable Radicals of Urea-Assembled Benzophenone Frameworks: A Structural Investigation.
The journal of physical chemistry. A, 2021, 125, 1336-1344
1564315 CIFC7 H7 N3 O3P c a 2110.2828; 9.526; 7.9993
90; 90; 90		783.6Machida, Shiori; Kida, Motoki; Muramatsu, Satoru; Hirao, Takehiro; Haino, Takeharu; Inokuchi, Yoshiya
Gas-Phase UV Spectroscopy of Chemical Intermediates Produced in Solution: Oxidation Reactions of Phenylhydrazines by DDQ.
The journal of physical chemistry. A, 2021, 125, 6697-6702
1564536 CIFC16 H24 Cl2 Rh2P 1 21/n 17.29534; 25.43886; 9.04309
90; 91.8695; 90		1677.37Fernando, Nathalie K.; Cairns, Andrew B.; Murray, Claire A.; Thompson, Amber L.; Dickerson, Joshua L.; Garman, Elspeth F.; Ahmed, Nayera; Ratcliff, Laura E.; Regoutz, Anna
Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts.
The journal of physical chemistry. A, 2021, 125, 7473-7488
1564537 CIFC16 H24 Cl2 Ir2P b c a15.18382; 13.64566; 16.30646
90; 90; 90		3378.59Fernando, Nathalie K.; Cairns, Andrew B.; Murray, Claire A.; Thompson, Amber L.; Dickerson, Joshua L.; Garman, Elspeth F.; Ahmed, Nayera; Ratcliff, Laura E.; Regoutz, Anna
Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts.
The journal of physical chemistry. A, 2021, 125, 7473-7488
1564806 CIFC40 H32 Dy2 N6 O18P 1 21/n 110.5497; 17.112; 12.0241
90; 100.401; 90		2135Dolai, Malay; Moreno-Pineda, Eufemio; Wernsdorfer, Wolfgang; Ali, Mahammad; Ghosh, Ashutosh
Exchange-Bias Quantum Tunneling of the Magnetization in a Dysprosium Dimer.
The journal of physical chemistry. A, 2021, 125, 8230-8237

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