02SRC154 - C~33~H~~25~BrNO~2~P

Sample Originator: David W. Allen^a.

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

Structure Determination: Simon J. Coles^b.

Sheffield Hallam University^a
University of Southampton^b

C~33~H~~25~BrNO~2~P

InChI=1/C33H26NO2P.BrH/c1-22-21-28(29-30(31(22)34)33(36)27-20-12-11-19-26(27)32(29)35)37(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25;/h2-21,37H,34H2,1H3;1H

Identification Number:	10.5258/ecrystals/878
Controlled Keywords:	biosensors, polar compounds organic, electronic materials
Date Created:	08 April 2002
Deposited On:	27 Oct 2009 09:26
Deposited By:	Mr Steve Lamond

Data collection parameters

Chemical formula	C33 H25 Br N O2 P
Crystal morphology
Crystal system	Monoclinic
Space group symbol	C2/c
Cell length a	26.860(3)
Cell length b	10.0338(9)
Cell length c	22.976(3)
Cell angle alpha	90.00
Cell angle beta	124.152(11)
Cell angle gamma	90.00
Data collection temperature	120(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0489
R Factor (All)	0.0722
Weighted R Factor (Obs)	0.1086
Weighted R Factor (All)	0.1220

Citation: Allen, David W. and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/878)
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Available Files

Final Result

02SRC154.FCF	156k
02SRC154.cif	18k
02SRC154.cml	9k

Validation

02SRC154_checkcif.htm

Refinement

02SRC154.res

Processing

02SRC154.HKL	283k
02SRC154.HTM	6k

Other Files

02SRC154.DOC	79k
02SRC154.P4P	1k
02SRC154.inchi	3k
02SRC154.ins	8k
02SRC154.mol	5k
02SRC154_ellipsoid.gif	24k

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