00SRC399 (918) - C₂₁H₂₄Cl₂N₄O₄

Sample Originator: Ray Jones^a.

Data Collection: Simon J. Coles^b and Michael B. Hursthouse^b

Structure Determination: Simon J. Coles^b.

Loughborough University^a
University of Southampton^b

C₂₁H₂₄Cl₂N₄O₄

InChI=1/C20H22N4O4.CH2Cl2/c1-21-13(25)10-20(19(21)28)15-14(17(26)22(2)18(15)27)16-23(8-9-24(16)20)11-12-6-4-3-5-7-12;2-1-3/h3-7,14-16H,8-11H2,1-2H3;1H2/t14-,15-,16+,20+;/m0./s1

Date Created:	27 August 2000
Deposited On:	23 Dec 2014 13:28
Deposited By:	Mr Steve Lamond

Data collection parameters

Chemical formula	C21 H24 Cl2 N4 O4
Crystal morphology
Crystal system	Triclinic
Space group symbol	P-1
Cell length a	6.5051(13)
Cell length b	10.758(2)
Cell length c	16.079(3)
Cell angle alpha	100.36(3)
Cell angle beta	101.24(3)
Cell angle gamma	93.97(3)
Data collection temperature	150(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0449
R Factor (All)	0.0767
Weighted R Factor (Obs)	0.1053
Weighted R Factor (All)	0.1182

Citation: Jones, Ray and Coles, Simon J. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/773/)
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Available Files

Final Result

00SRC399.CIF	15k
00SRC399.cml	8k

Validation

00SRC399_checkcif.htm

Refinement

00SRC399.res

Processing

00SRC399.HKL	652k
00SRC399.HTM	7k

Other Files

00SRC399.PCF	2k
00SRC399.TEX	11k
00SRC399.inchi	2k
00SRC399.mol	4k
00SRC399_ellipsoid.gif	22k

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00SRC399 (918) - C21H24Cl2N4O4